SCOPUS 정보 검색 플랫폼

Journal of Chemical Physics

Volumn 123, Issue 8, 2005, Pages

Ab initio Ehrenfest dynamics

(4) Li, Xiaosong a Tully, John C b Schlegel, H Bernhard c Frisch, Michael J d

a UNIVERSITY OF WASHINGTON (United States)

b YALE UNIVERSITY (United States)

c WAYNE STATE UNIVERSITY (United States)

d GAUSSIAN INC (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BORN-OPPENHEIMER (BO) DYNAMICS; EHRENFEST DYNAMICS; ELECTRONIC EXCITATION; TRANSFORMATION ALGORITHM;

ALGORITHMS; APPROXIMATION THEORY; COMPUTATION THEORY; KINETIC ENERGY;

DYNAMICS;

EID: 26444583429 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.2008258 Document Type: Article

Times cited : (372)

References (63)

1
- 0000007533
- Academic Press, New York
- D. L. Bunker, Methods in Computational Physics (Academic Press, New York, 1971), Vol. 10, p. 287; L. M. Raff and D. L. Thompson, Theory of Chemical Reaction Dynamics (CRC, Boca Raton, 1985); Advances in Classical Trajectory Methods, edited by, W. L. Hase, (JAI, Greenwich, 1992), Vol. 1; D. L. Thompson, in Encyclopedia of Computational Chemistry, edited by, P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and, P. R. Schreiner, (Wiley, Chichester, New York, 1998), p. 3059.
- (1971) Methods in Computational Physics , vol.10 , pp. 287
- Bunker, D.L.¹

2
- 0003767850
- CRC, Boca Raton
- D. L. Bunker, Methods in Computational Physics (Academic Press, New York, 1971), Vol. 10, p. 287; L. M. Raff and D. L. Thompson, Theory of Chemical Reaction Dynamics (CRC, Boca Raton, 1985); Advances in Classical Trajectory Methods, edited by, W. L. Hase, (JAI, Greenwich, 1992), Vol. 1; D. L. Thompson, in Encyclopedia of Computational Chemistry, edited by, P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and, P. R. Schreiner, (Wiley, Chichester, New York, 1998), p. 3059.
- (1985) Theory of Chemical Reaction Dynamics
- Raff, L.M.¹ Thompson, D.L.²

3
- 0004018836
- edited by W. L.Hase (JAI, Greenwich
- D. L. Bunker, Methods in Computational Physics (Academic Press, New York, 1971), Vol. 10, p. 287; L. M. Raff and D. L. Thompson, Theory of Chemical Reaction Dynamics (CRC, Boca Raton, 1985); Advances in Classical Trajectory Methods, edited by, W. L. Hase, (JAI, Greenwich, 1992), Vol. 1; D. L. Thompson, in Encyclopedia of Computational Chemistry, edited by, P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and, P. R. Schreiner, (Wiley, Chichester, New York, 1998), p. 3059.
- (1992) Advances in Classical Trajectory Methods , vol.1

4
- 26444549897
- edited by P. v. R.Schleyer, N. L.Allinger, T.Clark, J.Gasteiger, P. A.Kollman, H. F.Schaefer III, and P. R.Schreiner (Wiley, Chichester, New York
- D. L. Bunker, Methods in Computational Physics (Academic Press, New York, 1971), Vol. 10, p. 287; L. M. Raff and D. L. Thompson, Theory of Chemical Reaction Dynamics (CRC, Boca Raton, 1985); Advances in Classical Trajectory Methods, edited by, W. L. Hase, (JAI, Greenwich, 1992), Vol. 1; D. L. Thompson, in Encyclopedia of Computational Chemistry, edited by, P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and, P. R. Schreiner, (Wiley, Chichester, New York, 1998), p. 3059.
- (1998) Encyclopedia of Computational Chemistry , pp. 3059
- Thompson, D.L.¹

5
- 0003854825
- edited by D. L.Thompson (World Scientific, Singapore
- K. Bolton, W. L. Hase, and G. H. Peslherbe, in Modern Methods for Multidimensional Dynamics Computation in Chemistry, edited by, D. L. Thompson, (World Scientific, Singapore, 1998); R. Car and M. Parrinello, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.55.2471 55, 2471 (1985); M. E. Tuckerman, P. J. Ungar, T. von Rosenvinge, and M. L. Klein, J. Phys. Chem. 0022-3654 10.1021/jp960480+ 100, 12878 (1996); M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 0034-6861 10.1103/RevModPhys. 64.1045 64, 1045 (1992); D. K. Remler and P. A. Madden, Mol. Phys. 0026-8976 70, 921 (1990); D. Marx and J. Hutter, edited by, J. Grotendorst, (John von Neumann Institute for Computing, Julich, 2000), Vol. 1, p. 301; J. M. Millam, V. Bakken, W. Chen, W. L. Hase, and H. B. Schlegel, J. Chem. Phys. 111, 3800 (1999).
- (1998) Modern Methods for Multidimensional Dynamics Computation in Chemistry
- Bolton, K.¹ Hase, W.L.² Peslherbe, G.H.³

6
- 4243606192
- 0031-9007 10.1103/PhysRevLett.55.2471
- K. Bolton, W. L. Hase, and G. H. Peslherbe, in Modern Methods for Multidimensional Dynamics Computation in Chemistry, edited by, D. L. Thompson, (World Scientific, Singapore, 1998); R. Car and M. Parrinello, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.55.2471 55, 2471 (1985); M. E. Tuckerman, P. J. Ungar, T. von Rosenvinge, and M. L. Klein, J. Phys. Chem. 0022-3654 10.1021/jp960480+ 100, 12878 (1996); M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 0034-6861 10.1103/RevModPhys. 64.1045 64, 1045 (1992); D. K. Remler and P. A. Madden, Mol. Phys. 0026-8976 70, 921 (1990); D. Marx and J. Hutter, edited by, J. Grotendorst, (John von Neumann Institute for Computing, Julich, 2000), Vol. 1, p. 301; J. M. Millam, V. Bakken, W. Chen, W. L. Hase, and H. B. Schlegel, J. Chem. Phys. 111, 3800 (1999).
- (1985) Phys. Rev. Lett. , vol.55 , pp. 2471
- Car, R.¹ Parrinello, M.²

7
- 0030218763
- 0022-3654 10.1021/jp960480+
- K. Bolton, W. L. Hase, and G. H. Peslherbe, in Modern Methods for Multidimensional Dynamics Computation in Chemistry, edited by, D. L. Thompson, (World Scientific, Singapore, 1998); R. Car and M. Parrinello, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.55.2471 55, 2471 (1985); M. E. Tuckerman, P. J. Ungar, T. von Rosenvinge, and M. L. Klein, J. Phys. Chem. 0022-3654 10.1021/jp960480+ 100, 12878 (1996); M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 0034-6861 10.1103/RevModPhys. 64.1045 64, 1045 (1992); D. K. Remler and P. A. Madden, Mol. Phys. 0026-8976 70, 921 (1990); D. Marx and J. Hutter, edited by, J. Grotendorst, (John von Neumann Institute for Computing, Julich, 2000), Vol. 1, p. 301; J. M. Millam, V. Bakken, W. Chen, W. L. Hase, and H. B. Schlegel, J. Chem. Phys. 111, 3800 (1999).
- (1996) J. Phys. Chem. , vol.100 , pp. 12878
- Tuckerman, M.E.¹ Ungar, P.J.² Von Rosenvinge, T.³ Klein, M.L.⁴

8
- 11944256577
- 0034-6861 10.1103/RevModPhys.64.1045
- K. Bolton, W. L. Hase, and G. H. Peslherbe, in Modern Methods for Multidimensional Dynamics Computation in Chemistry, edited by, D. L. Thompson, (World Scientific, Singapore, 1998); R. Car and M. Parrinello, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.55.2471 55, 2471 (1985); M. E. Tuckerman, P. J. Ungar, T. von Rosenvinge, and M. L. Klein, J. Phys. Chem. 0022-3654 10.1021/jp960480+ 100, 12878 (1996); M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 0034-6861 10.1103/RevModPhys. 64.1045 64, 1045 (1992); D. K. Remler and P. A. Madden, Mol. Phys. 0026-8976 70, 921 (1990); D. Marx and J. Hutter, edited by, J. Grotendorst, (John von Neumann Institute for Computing, Julich, 2000), Vol. 1, p. 301; J. M. Millam, V. Bakken, W. Chen, W. L. Hase, and H. B. Schlegel, J. Chem. Phys. 111, 3800 (1999).
- (1992) Rev. Mod. Phys. , vol.64 , pp. 1045
- Payne, M.C.¹ Teter, M.P.² Allan, D.C.³ Arias, T.A.⁴ Joannopoulos, J.D.⁵

9
- 84947362301
- 0026-8976
- K. Bolton, W. L. Hase, and G. H. Peslherbe, in Modern Methods for Multidimensional Dynamics Computation in Chemistry, edited by, D. L. Thompson, (World Scientific, Singapore, 1998); R. Car and M. Parrinello, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.55.2471 55, 2471 (1985); M. E. Tuckerman, P. J. Ungar, T. von Rosenvinge, and M. L. Klein, J. Phys. Chem. 0022-3654 10.1021/jp960480+ 100, 12878 (1996); M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 0034-6861 10.1103/RevModPhys. 64.1045 64, 1045 (1992); D. K. Remler and P. A. Madden, Mol. Phys. 0026-8976 70, 921 (1990); D. Marx and J. Hutter, edited by, J. Grotendorst, (John von Neumann Institute for Computing, Julich, 2000), Vol. 1, p. 301; J. M. Millam, V. Bakken, W. Chen, W. L. Hase, and H. B. Schlegel, J. Chem. Phys. 111, 3800 (1999).
- (1990) Mol. Phys. , vol.70 , pp. 921
- Remler, D.K.¹ Madden, P.A.²

10
- 0000323669
- edited by J.Grotendorst (John von Neumann Institute for Computing, Julich
- K. Bolton, W. L. Hase, and G. H. Peslherbe, in Modern Methods for Multidimensional Dynamics Computation in Chemistry, edited by, D. L. Thompson, (World Scientific, Singapore, 1998); R. Car and M. Parrinello, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.55.2471 55, 2471 (1985); M. E. Tuckerman, P. J. Ungar, T. von Rosenvinge, and M. L. Klein, J. Phys. Chem. 0022-3654 10.1021/jp960480+ 100, 12878 (1996); M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 0034-6861 10.1103/RevModPhys. 64.1045 64, 1045 (1992); D. K. Remler and P. A. Madden, Mol. Phys. 0026-8976 70, 921 (1990); D. Marx and J. Hutter, edited by, J. Grotendorst, (John von Neumann Institute for Computing, Julich, 2000), Vol. 1, p. 301; J. M. Millam, V. Bakken, W. Chen, W. L. Hase, and H. B. Schlegel, J. Chem. Phys. 111, 3800 (1999).
- (2000) , vol.1 , pp. 301
- Marx, D.¹ Hutter, J.²

11
- 0000884580
- K. Bolton, W. L. Hase, and G. H. Peslherbe, in Modern Methods for Multidimensional Dynamics Computation in Chemistry, edited by, D. L. Thompson, (World Scientific, Singapore, 1998); R. Car and M. Parrinello, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.55.2471 55, 2471 (1985); M. E. Tuckerman, P. J. Ungar, T. von Rosenvinge, and M. L. Klein, J. Phys. Chem. 0022-3654 10.1021/jp960480+ 100, 12878 (1996); M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 0034-6861 10.1103/RevModPhys. 64.1045 64, 1045 (1992); D. K. Remler and P. A. Madden, Mol. Phys. 0026-8976 70, 921 (1990); D. Marx and J. Hutter, edited by, J. Grotendorst, (John von Neumann Institute for Computing, Julich, 2000), Vol. 1, p. 301; J. M. Millam, V. Bakken, W. Chen, W. L. Hase, and H. B. Schlegel, J. Chem. Phys. 111, 3800 (1999).
- (1999) J. Chem. Phys. , vol.111 , pp. 3800
- Millam, J.M.¹ Bakken, V.² Chen, W.³ Hase, W.L.⁴ Schlegel, H.B.⁵

12
- 12044255167
- 0034-6861 10.1103/RevModPhys.66.917
- E. Deumens, A. Diz, R. Longo, and Y. Ohrn, Rev. Mod. Phys. 0034-6861 10.1103/RevModPhys.66.917 66, 917 (1994); J. B. Delos, Rev. Mod. Phys. 53, 287 (1981).
- (1994) Rev. Mod. Phys. , vol.66 , pp. 917
- Deumens, E.¹ Diz, A.² Longo, R.³ Ohrn, Y.⁴

13
- 0038067513
- E. Deumens, A. Diz, R. Longo, and Y. Ohrn, Rev. Mod. Phys. 0034-6861 10.1103/RevModPhys.66.917 66, 917 (1994); J. B. Delos, Rev. Mod. Phys. 53, 287 (1981).
- (1981) Rev. Mod. Phys. , vol.53 , pp. 287
- Delos, J.B.¹

14
- 0035827207
- H. B. Schlegel, J. M. Millam, S. S. Iyengar, G. A. Voth, A. D. Daniels, G. E. Scuseria, and M. J. Frisch, J. Chem. Phys. 114, 9758 (2001).
- (2001) J. Chem. Phys. , vol.114 , pp. 9758
- Schlegel, H.B.¹ Millam, J.M.² Iyengar, S.S.³ Voth, G.A.⁴ Daniels, A.D.⁵ Scuseria, G.E.⁶ Frisch, M.J.⁷

15
- 22944431844
- P. V. Parandekar and J. C. Tully, J. Chem. Phys. 122 094102 (2005).
- (2005) J. Chem. Phys. , vol.122 , pp. 094102
- Parandekar, P.V.¹ Tully, J.C.²

16
- 36449004316
- 0021-9606 10.1063/1.459920
- B. Space and D. F. Coker, J. Chem. Phys. 0021-9606 10.1063/1.459920 94, 1976 (1991); G. Parlant and E. A. Gislason, J. Chem. Phys. 0021-9606 10.1063/1.456773 91, 4416 (1989); N. C. Blais, D. G. Truhlar, and C. A. Mead, J. Chem. Phys. 0021-9606 10.1063/1.455437 89, 6204 (1988); C. W. Eaker, J. Chem. Phys. 0021-9606 10.1063/1.452866 87, 4532 (1987); R. E. Cline and P. G. Wolynes, J. Phys. Chem. 0022-3654 86, 3836 (1987); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 91, 459 (1987); N. C. Blais and D. G. Truhlar, J. Chem. Phys. 0021-9606 10.1063/1.445888 79, 1334 (1983); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.435481 68, 185 (1978); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.432892 65, 3975 (1976); W. H. Miller and T. F. George, J. Chem. Phys. 0021-9606 10.1063/1.1677083 56, 5637 (1972); J. C. Tully and R. K. Preston, J. Chem. Phys. 0021-9606 10.1063/1.1675788 55, 562 (1971); J. C. Tully, J. Chem. Phys. 93, 1061 (1990); J. C. Tully, in Dynamics of Molecular Collisions, edited by, W. H. Miller, (Plenum, New York, 1976), Vol. 2, p. 217.
- (1991) J. Chem. Phys. , vol.94 , pp. 1976
- Space, B.¹ Coker, D.F.²

17
- 0001370671
- 0021-9606 10.1063/1.456773
- B. Space and D. F. Coker, J. Chem. Phys. 0021-9606 10.1063/1.459920 94, 1976 (1991); G. Parlant and E. A. Gislason, J. Chem. Phys. 0021-9606 10.1063/1.456773 91, 4416 (1989); N. C. Blais, D. G. Truhlar, and C. A. Mead, J. Chem. Phys. 0021-9606 10.1063/1.455437 89, 6204 (1988); C. W. Eaker, J. Chem. Phys. 0021-9606 10.1063/1.452866 87, 4532 (1987); R. E. Cline and P. G. Wolynes, J. Phys. Chem. 0022-3654 86, 3836 (1987); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 91, 459 (1987); N. C. Blais and D. G. Truhlar, J. Chem. Phys. 0021-9606 10.1063/1.445888 79, 1334 (1983); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.435481 68, 185 (1978); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.432892 65, 3975 (1976); W. H. Miller and T. F. George, J. Chem. Phys. 0021-9606 10.1063/1.1677083 56, 5637 (1972); J. C. Tully and R. K. Preston, J. Chem. Phys. 0021-9606 10.1063/1.1675788 55, 562 (1971); J. C. Tully, J. Chem. Phys. 93, 1061 (1990); J. C. Tully, in Dynamics of Molecular Collisions, edited by, W. H. Miller, (Plenum, New York, 1976), Vol. 2, p. 217.
- (1989) J. Chem. Phys. , vol.91 , pp. 4416
- Parlant, G.¹ Gislason, E.A.²

18
- 36549094874
- 0021-9606 10.1063/1.455437
- B. Space and D. F. Coker, J. Chem. Phys. 0021-9606 10.1063/1.459920 94, 1976 (1991); G. Parlant and E. A. Gislason, J. Chem. Phys. 0021-9606 10.1063/1.456773 91, 4416 (1989); N. C. Blais, D. G. Truhlar, and C. A. Mead, J. Chem. Phys. 0021-9606 10.1063/1.455437 89, 6204 (1988); C. W. Eaker, J. Chem. Phys. 0021-9606 10.1063/1.452866 87, 4532 (1987); R. E. Cline and P. G. Wolynes, J. Phys. Chem. 0022-3654 86, 3836 (1987); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 91, 459 (1987); N. C. Blais and D. G. Truhlar, J. Chem. Phys. 0021-9606 10.1063/1.445888 79, 1334 (1983); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.435481 68, 185 (1978); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.432892 65, 3975 (1976); W. H. Miller and T. F. George, J. Chem. Phys. 0021-9606 10.1063/1.1677083 56, 5637 (1972); J. C. Tully and R. K. Preston, J. Chem. Phys. 0021-9606 10.1063/1.1675788 55, 562 (1971); J. C. Tully, J. Chem. Phys. 93, 1061 (1990); J. C. Tully, in Dynamics of Molecular Collisions, edited by, W. H. Miller, (Plenum, New York, 1976), Vol. 2, p. 217.
- (1988) J. Chem. Phys. , vol.89 , pp. 6204
- Blais, N.C.¹ Truhlar, D.G.² Mead, C.A.³

19
- 0006714783
- 0021-9606 10.1063/1.452866
- B. Space and D. F. Coker, J. Chem. Phys. 0021-9606 10.1063/1.459920 94, 1976 (1991); G. Parlant and E. A. Gislason, J. Chem. Phys. 0021-9606 10.1063/1.456773 91, 4416 (1989); N. C. Blais, D. G. Truhlar, and C. A. Mead, J. Chem. Phys. 0021-9606 10.1063/1.455437 89, 6204 (1988); C. W. Eaker, J. Chem. Phys. 0021-9606 10.1063/1.452866 87, 4532 (1987); R. E. Cline and P. G. Wolynes, J. Phys. Chem. 0022-3654 86, 3836 (1987); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 91, 459 (1987); N. C. Blais and D. G. Truhlar, J. Chem. Phys. 0021-9606 10.1063/1.445888 79, 1334 (1983); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.435481 68, 185 (1978); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.432892 65, 3975 (1976); W. H. Miller and T. F. George, J. Chem. Phys. 0021-9606 10.1063/1.1677083 56, 5637 (1972); J. C. Tully and R. K. Preston, J. Chem. Phys. 0021-9606 10.1063/1.1675788 55, 562 (1971); J. C. Tully, J. Chem. Phys. 93, 1061 (1990); J. C. Tully, in Dynamics of Molecular Collisions, edited by, W. H. Miller, (Plenum, New York, 1976), Vol. 2, p. 217.
- (1987) J. Chem. Phys. , vol.87 , pp. 4532
- Eaker, C.W.¹

20
- 26444552372
- 0022-3654
- B. Space and D. F. Coker, J. Chem. Phys. 0021-9606 10.1063/1.459920 94, 1976 (1991); G. Parlant and E. A. Gislason, J. Chem. Phys. 0021-9606 10.1063/1.456773 91, 4416 (1989); N. C. Blais, D. G. Truhlar, and C. A. Mead, J. Chem. Phys. 0021-9606 10.1063/1.455437 89, 6204 (1988); C. W. Eaker, J. Chem. Phys. 0021-9606 10.1063/1.452866 87, 4532 (1987); R. E. Cline and P. G. Wolynes, J. Phys. Chem. 0022-3654 86, 3836 (1987); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 91, 459 (1987); N. C. Blais and D. G. Truhlar, J. Chem. Phys. 0021-9606 10.1063/1.445888 79, 1334 (1983); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.435481 68, 185 (1978); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.432892 65, 3975 (1976); W. H. Miller and T. F. George, J. Chem. Phys. 0021-9606 10.1063/1.1677083 56, 5637 (1972); J. C. Tully and R. K. Preston, J. Chem. Phys. 0021-9606 10.1063/1.1675788 55, 562 (1971); J. C. Tully, J. Chem. Phys. 93, 1061 (1990); J. C. Tully, in Dynamics of Molecular Collisions, edited by, W. H. Miller, (Plenum, New York, 1976), Vol. 2, p. 217.
- (1987) J. Phys. Chem. , vol.86 , pp. 3836
- Cline, R.E.¹ Wolynes, P.G.²

21
- 26444541056
- 0021-9606
- B. Space and D. F. Coker, J. Chem. Phys. 0021-9606 10.1063/1.459920 94, 1976 (1991); G. Parlant and E. A. Gislason, J. Chem. Phys. 0021-9606 10.1063/1.456773 91, 4416 (1989); N. C. Blais, D. G. Truhlar, and C. A. Mead, J. Chem. Phys. 0021-9606 10.1063/1.455437 89, 6204 (1988); C. W. Eaker, J. Chem. Phys. 0021-9606 10.1063/1.452866 87, 4532 (1987); R. E. Cline and P. G. Wolynes, J. Phys. Chem. 0022-3654 86, 3836 (1987); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 91, 459 (1987); N. C. Blais and D. G. Truhlar, J. Chem. Phys. 0021-9606 10.1063/1.445888 79, 1334 (1983); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.435481 68, 185 (1978); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.432892 65, 3975 (1976); W. H. Miller and T. F. George, J. Chem. Phys. 0021-9606 10.1063/1.1677083 56, 5637 (1972); J. C. Tully and R. K. Preston, J. Chem. Phys. 0021-9606 10.1063/1.1675788 55, 562 (1971); J. C. Tully, J. Chem. Phys. 93, 1061 (1990); J. C. Tully, in Dynamics of Molecular Collisions, edited by, W. H. Miller, (Plenum, New York, 1976), Vol. 2, p. 217.
- (1987) J. Chem. Phys. , vol.91 , pp. 459
- Stine, J.R.¹ Muckerman, J.T.²

22
- 33751052200
- 0021-9606 10.1063/1.445888
- B. Space and D. F. Coker, J. Chem. Phys. 0021-9606 10.1063/1.459920 94, 1976 (1991); G. Parlant and E. A. Gislason, J. Chem. Phys. 0021-9606 10.1063/1.456773 91, 4416 (1989); N. C. Blais, D. G. Truhlar, and C. A. Mead, J. Chem. Phys. 0021-9606 10.1063/1.455437 89, 6204 (1988); C. W. Eaker, J. Chem. Phys. 0021-9606 10.1063/1.452866 87, 4532 (1987); R. E. Cline and P. G. Wolynes, J. Phys. Chem. 0022-3654 86, 3836 (1987); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 91, 459 (1987); N. C. Blais and D. G. Truhlar, J. Chem. Phys. 0021-9606 10.1063/1.445888 79, 1334 (1983); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.435481 68, 185 (1978); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.432892 65, 3975 (1976); W. H. Miller and T. F. George, J. Chem. Phys. 0021-9606 10.1063/1.1677083 56, 5637 (1972); J. C. Tully and R. K. Preston, J. Chem. Phys. 0021-9606 10.1063/1.1675788 55, 562 (1971); J. C. Tully, J. Chem. Phys. 93, 1061 (1990); J. C. Tully, in Dynamics of Molecular Collisions, edited by, W. H. Miller, (Plenum, New York, 1976), Vol. 2, p. 217.
- (1983) J. Chem. Phys. , vol.79 , pp. 1334
- Blais, N.C.¹ Truhlar, D.G.²

23
- 0001471474
- 0021-9606 10.1063/1.435481
- B. Space and D. F. Coker, J. Chem. Phys. 0021-9606 10.1063/1.459920 94, 1976 (1991); G. Parlant and E. A. Gislason, J. Chem. Phys. 0021-9606 10.1063/1.456773 91, 4416 (1989); N. C. Blais, D. G. Truhlar, and C. A. Mead, J. Chem. Phys. 0021-9606 10.1063/1.455437 89, 6204 (1988); C. W. Eaker, J. Chem. Phys. 0021-9606 10.1063/1.452866 87, 4532 (1987); R. E. Cline and P. G. Wolynes, J. Phys. Chem. 0022-3654 86, 3836 (1987); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 91, 459 (1987); N. C. Blais and D. G. Truhlar, J. Chem. Phys. 0021-9606 10.1063/1.445888 79, 1334 (1983); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.435481 68, 185 (1978); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.432892 65, 3975 (1976); W. H. Miller and T. F. George, J. Chem. Phys. 0021-9606 10.1063/1.1677083 56, 5637 (1972); J. C. Tully and R. K. Preston, J. Chem. Phys. 0021-9606 10.1063/1.1675788 55, 562 (1971); J. C. Tully, J. Chem. Phys. 93, 1061 (1990); J. C. Tully, in Dynamics of Molecular Collisions, edited by, W. H. Miller, (Plenum, New York, 1976), Vol. 2, p. 217.
- (1978) J. Chem. Phys. , vol.68 , pp. 185
- Stine, J.R.¹ Muckerman, J.T.²

24
- 0000810970
- 0021-9606 10.1063/1.432892
- B. Space and D. F. Coker, J. Chem. Phys. 0021-9606 10.1063/1.459920 94, 1976 (1991); G. Parlant and E. A. Gislason, J. Chem. Phys. 0021-9606 10.1063/1.456773 91, 4416 (1989); N. C. Blais, D. G. Truhlar, and C. A. Mead, J. Chem. Phys. 0021-9606 10.1063/1.455437 89, 6204 (1988); C. W. Eaker, J. Chem. Phys. 0021-9606 10.1063/1.452866 87, 4532 (1987); R. E. Cline and P. G. Wolynes, J. Phys. Chem. 0022-3654 86, 3836 (1987); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 91, 459 (1987); N. C. Blais and D. G. Truhlar, J. Chem. Phys. 0021-9606 10.1063/1.445888 79, 1334 (1983); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.435481 68, 185 (1978); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.432892 65, 3975 (1976); W. H. Miller and T. F. George, J. Chem. Phys. 0021-9606 10.1063/1.1677083 56, 5637 (1972); J. C. Tully and R. K. Preston, J. Chem. Phys. 0021-9606 10.1063/1.1675788 55, 562 (1971); J. C. Tully, J. Chem. Phys. 93, 1061 (1990); J. C. Tully, in Dynamics of Molecular Collisions, edited by, W. H. Miller, (Plenum, New York, 1976), Vol. 2, p. 217.
- (1976) J. Chem. Phys. , vol.65 , pp. 3975
- Stine, J.R.¹ Muckerman, J.T.²

25
- 36849103764
- 0021-9606 10.1063/1.1677083
- B. Space and D. F. Coker, J. Chem. Phys. 0021-9606 10.1063/1.459920 94, 1976 (1991); G. Parlant and E. A. Gislason, J. Chem. Phys. 0021-9606 10.1063/1.456773 91, 4416 (1989); N. C. Blais, D. G. Truhlar, and C. A. Mead, J. Chem. Phys. 0021-9606 10.1063/1.455437 89, 6204 (1988); C. W. Eaker, J. Chem. Phys. 0021-9606 10.1063/1.452866 87, 4532 (1987); R. E. Cline and P. G. Wolynes, J. Phys. Chem. 0022-3654 86, 3836 (1987); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 91, 459 (1987); N. C. Blais and D. G. Truhlar, J. Chem. Phys. 0021-9606 10.1063/1.445888 79, 1334 (1983); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.435481 68, 185 (1978); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.432892 65, 3975 (1976); W. H. Miller and T. F. George, J. Chem. Phys. 0021-9606 10.1063/1.1677083 56, 5637 (1972); J. C. Tully and R. K. Preston, J. Chem. Phys. 0021-9606 10.1063/1.1675788 55, 562 (1971); J. C. Tully, J. Chem. Phys. 93, 1061 (1990); J. C. Tully, in Dynamics of Molecular Collisions, edited by, W. H. Miller, (Plenum, New York, 1976), Vol. 2, p. 217.
- (1972) J. Chem. Phys. , vol.56 , pp. 5637
- Miller, W.H.¹ George, T.F.²

26
- 2242440384
- 0021-9606 10.1063/1.1675788
- B. Space and D. F. Coker, J. Chem. Phys. 0021-9606 10.1063/1.459920 94, 1976 (1991); G. Parlant and E. A. Gislason, J. Chem. Phys. 0021-9606 10.1063/1.456773 91, 4416 (1989); N. C. Blais, D. G. Truhlar, and C. A. Mead, J. Chem. Phys. 0021-9606 10.1063/1.455437 89, 6204 (1988); C. W. Eaker, J. Chem. Phys. 0021-9606 10.1063/1.452866 87, 4532 (1987); R. E. Cline and P. G. Wolynes, J. Phys. Chem. 0022-3654 86, 3836 (1987); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 91, 459 (1987); N. C. Blais and D. G. Truhlar, J. Chem. Phys. 0021-9606 10.1063/1.445888 79, 1334 (1983); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.435481 68, 185 (1978); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.432892 65, 3975 (1976); W. H. Miller and T. F. George, J. Chem. Phys. 0021-9606 10.1063/1.1677083 56, 5637 (1972); J. C. Tully and R. K. Preston, J. Chem. Phys. 0021-9606 10.1063/1.1675788 55, 562 (1971); J. C. Tully, J. Chem. Phys. 93, 1061 (1990); J. C. Tully, in Dynamics of Molecular Collisions, edited by, W. H. Miller, (Plenum, New York, 1976), Vol. 2, p. 217.
- (1971) J. Chem. Phys. , vol.55 , pp. 562
- Tully, J.C.¹ Preston, R.K.²

27
- 13044304431
- B. Space and D. F. Coker, J. Chem. Phys. 0021-9606 10.1063/1.459920 94, 1976 (1991); G. Parlant and E. A. Gislason, J. Chem. Phys. 0021-9606 10.1063/1.456773 91, 4416 (1989); N. C. Blais, D. G. Truhlar, and C. A. Mead, J. Chem. Phys. 0021-9606 10.1063/1.455437 89, 6204 (1988); C. W. Eaker, J. Chem. Phys. 0021-9606 10.1063/1.452866 87, 4532 (1987); R. E. Cline and P. G. Wolynes, J. Phys. Chem. 0022-3654 86, 3836 (1987); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 91, 459 (1987); N. C. Blais and D. G. Truhlar, J. Chem. Phys. 0021-9606 10.1063/1.445888 79, 1334 (1983); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.435481 68, 185 (1978); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.432892 65, 3975 (1976); W. H. Miller and T. F. George, J. Chem. Phys. 0021-9606 10.1063/1.1677083 56, 5637 (1972); J. C. Tully and R. K. Preston, J. Chem. Phys. 0021-9606 10.1063/1.1675788 55, 562 (1971); J. C. Tully, J. Chem. Phys. 93, 1061 (1990); J. C. Tully, in Dynamics of Molecular Collisions, edited by, W. H. Miller, (Plenum, New York, 1976), Vol. 2, p. 217.
- (1990) J. Chem. Phys. , vol.93 , pp. 1061
- Tully, J.C.¹

28
- 0001420279
- edited by W. H.Miller (Plenum, New York
- B. Space and D. F. Coker, J. Chem. Phys. 0021-9606 10.1063/1.459920 94, 1976 (1991); G. Parlant and E. A. Gislason, J. Chem. Phys. 0021-9606 10.1063/1.456773 91, 4416 (1989); N. C. Blais, D. G. Truhlar, and C. A. Mead, J. Chem. Phys. 0021-9606 10.1063/1.455437 89, 6204 (1988); C. W. Eaker, J. Chem. Phys. 0021-9606 10.1063/1.452866 87, 4532 (1987); R. E. Cline and P. G. Wolynes, J. Phys. Chem. 0022-3654 86, 3836 (1987); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 91, 459 (1987); N. C. Blais and D. G. Truhlar, J. Chem. Phys. 0021-9606 10.1063/1.445888 79, 1334 (1983); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.435481 68, 185 (1978); J. R. Stine and J. T. Muckerman, J. Chem. Phys. 0021-9606 10.1063/1.432892 65, 3975 (1976); W. H. Miller and T. F. George, J. Chem. Phys. 0021-9606 10.1063/1.1677083 56, 5637 (1972); J. C. Tully and R. K. Preston, J. Chem. Phys. 0021-9606 10.1063/1.1675788 55, 562 (1971); J. C. Tully, J. Chem. Phys. 93, 1061 (1990); J. C. Tully, in Dynamics of Molecular Collisions, edited by, W. H. Miller, (Plenum, New York, 1976), Vol. 2, p. 217.
- (1976) Dynamics of Molecular Collisions , pp. 217
- Tully, J.C.¹

29
- 0034728567
- 0002-7863 10.1021/ja993985x
- A. Sanchez-Galvez, P. Hunt, M. A. Robb, M. Olivucci, T. Vreven, and H. B. Schlegel, J. Am. Chem. Soc. 0002-7863 10.1021/ja993985x 122, 2911 (2000); T. Vreven, F. Bernardi, M. Garavelli, M. Olivucci, M. A. Robb, and H. B. Schlegel, J. Am. Chem. Soc. 0002-7863 10.1021/ja9725763 119, 12687 (1997); G. A. Worth, P. Hunt, and M. A. Robb, J. Phys. Chem. A 107, 621 (2003).
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 2911
- Sanchez-Galvez, A.¹ Hunt, P.² Robb, M.A.³ Olivucci, M.⁴ Vreven, T.⁵ Schlegel, H.B.⁶

30
- 0034728567
- 0002-7863 10.1021/ja9725763
- A. Sanchez-Galvez, P. Hunt, M. A. Robb, M. Olivucci, T. Vreven, and H. B. Schlegel, J. Am. Chem. Soc. 0002-7863 10.1021/ja993985x 122, 2911 (2000); T. Vreven, F. Bernardi, M. Garavelli, M. Olivucci, M. A. Robb, and H. B. Schlegel, J. Am. Chem. Soc. 0002-7863 10.1021/ja9725763 119, 12687 (1997); G. A. Worth, P. Hunt, and M. A. Robb, J. Phys. Chem. A 107, 621 (2003).
- (1997) J. Am. Chem. Soc. , vol.119 , pp. 12687
- Vreven, T.¹ Bernardi, F.² Garavelli, M.³ Olivucci, M.⁴ Robb, M.A.⁵ Schlegel, H.B.⁶

31
- 0037421822
- A. Sanchez-Galvez, P. Hunt, M. A. Robb, M. Olivucci, T. Vreven, and H. B. Schlegel, J. Am. Chem. Soc. 0002-7863 10.1021/ja993985x 122, 2911 (2000); T. Vreven, F. Bernardi, M. Garavelli, M. Olivucci, M. A. Robb, and H. B. Schlegel, J. Am. Chem. Soc. 0002-7863 10.1021/ja9725763 119, 12687 (1997); G. A. Worth, P. Hunt, and M. A. Robb, J. Phys. Chem. A 107, 621 (2003).
- (2003) J. Phys. Chem. A , vol.107 , pp. 621
- Worth, G.A.¹ Hunt, P.² Robb, M.A.³

32
- 5344266978
- 1050-2947 10.1103/PhysRevA.36.2726
- K. C. Kulander, Phys. Rev. A 1050-2947 10.1103/PhysRevA.36.2726 36, 2726 (1987); K. C. Kulander, K. R. S. Devi, and S. E. Koonin, Phys. Rev. A 25, 2968 (1982).
- (1987) Phys. Rev. A , vol.36 , pp. 2726
- Kulander, K.C.¹

33
- 0000945723
- K. C. Kulander, Phys. Rev. A 1050-2947 10.1103/PhysRevA.36.2726 36, 2726 (1987); K. C. Kulander, K. R. S. Devi, and S. E. Koonin, Phys. Rev. A 25, 2968 (1982).
- (1982) Phys. Rev. A , vol.25 , pp. 2968
- Kulander, K.C.¹ Devi, K.R.S.² Koonin, S.E.³

34
- 0001240959
- G. H. Chen and S. Mukamel, J. Chem. Phys. 103, 9355 (1995).
- (1995) J. Chem. Phys. , vol.103 , pp. 9355
- Chen, G.H.¹ Mukamel, S.²

35
- 12744262870
- X. Li, S. M. Smith, A. N. Markevitch, D. A. Romanov, R. J. Levis, and H. B. Schlegel, Phys. Chem. Chem. Phys. 7, 233 (2005).
- (2005) Phys. Chem. Chem. Phys. , vol.7 , pp. 233
- Li, X.¹ Smith, S.M.² Markevitch, A.N.³ Romanov, D.A.⁴ Levis, R.J.⁵ Schlegel, H.B.⁶

36
- 0012597289
- 0031-9007 10.1103/PhysRevLett.52.997
- E. Runge and E. K. U. Gross, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.52.997 52, 997 (1984); B. X. Xu and A. K. Rajagopal, Phys. Rev. A 1050-2947 10.1103/PhysRevA.31.2682 31, 2682 (1985); A. K. Dhara and S. K. Ghosh, Phys. Rev. A 1050-2947 10.1103/PhysRevA.35.442 35, 442 (1987); V. Chernyak and S. Mukamel, Phys. Rev. A 1050-2947 10.1103/PhysRevA.52.3601 52, 3601 (1995); V. Chernyak and S. Mukamel, J. Chem. Phys. 112, 3572 (2000).
- (1984) Phys. Rev. Lett. , vol.52 , pp. 997
- Runge, E.¹ Gross, E.K.U.²

37
- 0005653194
- 1050-2947 10.1103/PhysRevA.31.2682
- E. Runge and E. K. U. Gross, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.52.997 52, 997 (1984); B. X. Xu and A. K. Rajagopal, Phys. Rev. A 1050-2947 10.1103/PhysRevA.31.2682 31, 2682 (1985); A. K. Dhara and S. K. Ghosh, Phys. Rev. A 1050-2947 10.1103/PhysRevA.35.442 35, 442 (1987); V. Chernyak and S. Mukamel, Phys. Rev. A 1050-2947 10.1103/PhysRevA.52.3601 52, 3601 (1995); V. Chernyak and S. Mukamel, J. Chem. Phys. 112, 3572 (2000).
- (1985) Phys. Rev. A , vol.31 , pp. 2682
- Xu, B.X.¹ Rajagopal, A.K.²

38
- 0000172830
- 1050-2947 10.1103/PhysRevA.35.442
- E. Runge and E. K. U. Gross, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.52.997 52, 997 (1984); B. X. Xu and A. K. Rajagopal, Phys. Rev. A 1050-2947 10.1103/PhysRevA.31.2682 31, 2682 (1985); A. K. Dhara and S. K. Ghosh, Phys. Rev. A 1050-2947 10.1103/PhysRevA.35.442 35, 442 (1987); V. Chernyak and S. Mukamel, Phys. Rev. A 1050-2947 10.1103/PhysRevA.52.3601 52, 3601 (1995); V. Chernyak and S. Mukamel, J. Chem. Phys. 112, 3572 (2000).
- (1987) Phys. Rev. A , vol.35 , pp. 442
- Dhara, A.K.¹ Ghosh, S.K.²

39
- 0029406895
- 1050-2947 10.1103/PhysRevA.52.3601
- E. Runge and E. K. U. Gross, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.52.997 52, 997 (1984); B. X. Xu and A. K. Rajagopal, Phys. Rev. A 1050-2947 10.1103/PhysRevA.31.2682 31, 2682 (1985); A. K. Dhara and S. K. Ghosh, Phys. Rev. A 1050-2947 10.1103/PhysRevA.35.442 35, 442 (1987); V. Chernyak and S. Mukamel, Phys. Rev. A 1050-2947 10.1103/PhysRevA.52.3601 52, 3601 (1995); V. Chernyak and S. Mukamel, J. Chem. Phys. 112, 3572 (2000).
- (1995) Phys. Rev. A , vol.52 , pp. 3601
- Chernyak, V.¹ Mukamel, S.²

40
- 0000361692
- E. Runge and E. K. U. Gross, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.52.997 52, 997 (1984); B. X. Xu and A. K. Rajagopal, Phys. Rev. A 1050-2947 10.1103/PhysRevA.31.2682 31, 2682 (1985); A. K. Dhara and S. K. Ghosh, Phys. Rev. A 1050-2947 10.1103/PhysRevA.35.442 35, 442 (1987); V. Chernyak and S. Mukamel, Phys. Rev. A 1050-2947 10.1103/PhysRevA.52.3601 52, 3601 (1995); V. Chernyak and S. Mukamel, J. Chem. Phys. 112, 3572 (2000).
- (2000) J. Chem. Phys. , vol.112 , pp. 3572
- Chernyak, V.¹ Mukamel, S.²

41
- 0001244762
- 0163-1829 10.1103/PhysRevB.32.851
- S. I. Sawada, A. Nitzan, and H. Metiu, Phys. Rev. B 0163-1829 10.1103/PhysRevB.32.851 32, 851 (1985); Z. Kirson, R. B. Gerber, A. Nitzan, and M. A. Ratner, Surf. Sci. 0039-6028 10.1016/0039-6028(84)90528-4 137, 527 (1984); D. A. Micha, J. Chem. Phys. 0021-9606 10.1063/1.444753 78, 7138 (1983); A. D. McLachlan, Mol. Phys. 0026-8976 8, 39 (1964); M. J. Field, J. Chem. Phys. 0021-9606 10.1063/1.462794 96, 4583 (1992); K. Runge and D. A. Micha, Phys. Rev. A 53, 1388 (1996); K. Runge, D. A. Micha, and E. Q. Feng, Int. J. Quantum Chem. Suppl., 24, 781 (1990).
- (1985) Phys. Rev. B , vol.32 , pp. 851
- Sawada, S.I.¹ Nitzan, A.² Metiu, H.³

42
- 0001420398
- 0039-6028 10.1016/0039-6028(84)90528-4
- S. I. Sawada, A. Nitzan, and H. Metiu, Phys. Rev. B 0163-1829 10.1103/PhysRevB.32.851 32, 851 (1985); Z. Kirson, R. B. Gerber, A. Nitzan, and M. A. Ratner, Surf. Sci. 0039-6028 10.1016/0039-6028(84)90528-4 137, 527 (1984); D. A. Micha, J. Chem. Phys. 0021-9606 10.1063/1.444753 78, 7138 (1983); A. D. McLachlan, Mol. Phys. 0026-8976 8, 39 (1964); M. J. Field, J. Chem. Phys. 0021-9606 10.1063/1.462794 96, 4583 (1992); K. Runge and D. A. Micha, Phys. Rev. A 53, 1388 (1996); K. Runge, D. A. Micha, and E. Q. Feng, Int. J. Quantum Chem. Suppl., 24, 781 (1990).
- (1984) Surf. Sci. , vol.137 , pp. 527
- Kirson, Z.¹ Gerber, R.B.² Nitzan, A.³ Ratner, M.A.⁴

43
- 36749120380
- 0021-9606 10.1063/1.444753
- S. I. Sawada, A. Nitzan, and H. Metiu, Phys. Rev. B 0163-1829 10.1103/PhysRevB.32.851 32, 851 (1985); Z. Kirson, R. B. Gerber, A. Nitzan, and M. A. Ratner, Surf. Sci. 0039-6028 10.1016/0039-6028(84)90528-4 137, 527 (1984); D. A. Micha, J. Chem. Phys. 0021-9606 10.1063/1.444753 78, 7138 (1983); A. D. McLachlan, Mol. Phys. 0026-8976 8, 39 (1964); M. J. Field, J. Chem. Phys. 0021-9606 10.1063/1.462794 96, 4583 (1992); K. Runge and D. A. Micha, Phys. Rev. A 53, 1388 (1996); K. Runge, D. A. Micha, and E. Q. Feng, Int. J. Quantum Chem. Suppl., 24, 781 (1990).
- (1983) J. Chem. Phys. , vol.78 , pp. 7138
- Micha, D.A.¹

44
- 43049181202
- 0026-8976
- S. I. Sawada, A. Nitzan, and H. Metiu, Phys. Rev. B 0163-1829 10.1103/PhysRevB.32.851 32, 851 (1985); Z. Kirson, R. B. Gerber, A. Nitzan, and M. A. Ratner, Surf. Sci. 0039-6028 10.1016/0039-6028(84)90528-4 137, 527 (1984); D. A. Micha, J. Chem. Phys. 0021-9606 10.1063/1.444753 78, 7138 (1983); A. D. McLachlan, Mol. Phys. 0026-8976 8, 39 (1964); M. J. Field, J. Chem. Phys. 0021-9606 10.1063/1.462794 96, 4583 (1992); K. Runge and D. A. Micha, Phys. Rev. A 53, 1388 (1996); K. Runge, D. A. Micha, and E. Q. Feng, Int. J. Quantum Chem. Suppl., 24, 781 (1990).
- (1964) Mol. Phys. , vol.8 , pp. 39
- McLachlan, A.D.¹

45
- 0343132391
- 0021-9606 10.1063/1.462794
- S. I. Sawada, A. Nitzan, and H. Metiu, Phys. Rev. B 0163-1829 10.1103/PhysRevB.32.851 32, 851 (1985); Z. Kirson, R. B. Gerber, A. Nitzan, and M. A. Ratner, Surf. Sci. 0039-6028 10.1016/0039-6028(84)90528-4 137, 527 (1984); D. A. Micha, J. Chem. Phys. 0021-9606 10.1063/1.444753 78, 7138 (1983); A. D. McLachlan, Mol. Phys. 0026-8976 8, 39 (1964); M. J. Field, J. Chem. Phys. 0021-9606 10.1063/1.462794 96, 4583 (1992); K. Runge and D. A. Micha, Phys. Rev. A 53, 1388 (1996); K. Runge, D. A. Micha, and E. Q. Feng, Int. J. Quantum Chem. Suppl., 24, 781 (1990).
- (1992) J. Chem. Phys. , vol.96 , pp. 4583
- Field, M.J.¹

46
- 0041979931
- S. I. Sawada, A. Nitzan, and H. Metiu, Phys. Rev. B 0163-1829 10.1103/PhysRevB.32.851 32, 851 (1985); Z. Kirson, R. B. Gerber, A. Nitzan, and M. A. Ratner, Surf. Sci. 0039-6028 10.1016/0039-6028(84)90528-4 137, 527 (1984); D. A. Micha, J. Chem. Phys. 0021-9606 10.1063/1.444753 78, 7138 (1983); A. D. McLachlan, Mol. Phys. 0026-8976 8, 39 (1964); M. J. Field, J. Chem. Phys. 0021-9606 10.1063/1.462794 96, 4583 (1992); K. Runge and D. A. Micha, Phys. Rev. A 53, 1388 (1996); K. Runge, D. A. Micha, and E. Q. Feng, Int. J. Quantum Chem. Suppl., 24, 781 (1990).
- (1996) Phys. Rev. A , vol.53 , pp. 1388
- Runge, K.¹ Micha, D.A.²

47
- 84987057641
- S. I. Sawada, A. Nitzan, and H. Metiu, Phys. Rev. B 0163-1829 10.1103/PhysRevB.32.851 32, 851 (1985); Z. Kirson, R. B. Gerber, A. Nitzan, and M. A. Ratner, Surf. Sci. 0039-6028 10.1016/0039-6028(84)90528-4 137, 527 (1984); D. A. Micha, J. Chem. Phys. 0021-9606 10.1063/1.444753 78, 7138 (1983); A. D. McLachlan, Mol. Phys. 0026-8976 8, 39 (1964); M. J. Field, J. Chem. Phys. 0021-9606 10.1063/1.462794 96, 4583 (1992); K. Runge and D. A. Micha, Phys. Rev. A 53, 1388 (1996); K. Runge, D. A. Micha, and E. Q. Feng, Int. J. Quantum Chem. Suppl., 24, 781 (1990).
- (1990) Int. J. Quantum Chem. Suppl. , pp. 781
- Runge, K.¹ Micha, D.A.² Feng, E.Q.³

48
- 0000939177
- 1089-5639 10.1021/jp9906839
- D. A. Micha, J. Phys. Chem. A 1089-5639 10.1021/jp9906839 103, 7562 (1999); D. A. Micha and K. Runge, Phys. Rev. A 50, 322 (1994).
- (1999) J. Phys. Chem. A , vol.103 , pp. 7562
- Micha, D.A.¹

49
- 0000327653
- D. A. Micha, J. Phys. Chem. A 1089-5639 10.1021/jp9906839 103, 7562 (1999); D. A. Micha and K. Runge, Phys. Rev. A 50, 322 (1994).
- (1994) Phys. Rev. A , vol.50 , pp. 322
- Micha, D.A.¹ Runge, K.²

50
- 0010675782
- Academic Press, New York
- D. A. Micha, Advances In Quantum Chemistry (Academic Press, New York, 1999), Vol. 35, p. 317.
- (1999) Advances in Quantum Chemistry , vol.35 , pp. 317
- Micha, D.A.¹

51
- 84987144695
- E. Q. Feng, D. A. Micha, and K. Runge, Int. J. Quantum Chem. 40, 545 (1991).
- (1991) Int. J. Quantum Chem. , vol.40 , pp. 545
- Feng, E.Q.¹ Micha, D.A.² Runge, K.³

52
- 22944467757
- L. Verlet, Phys. Rev. 159, 98 (1967).
- (1967) Phys. Rev. , vol.159 , pp. 98
- Verlet, L.¹

53
- 0002319063
- 0009-2614 10.1016/0009-2614(89)87442-1
- S. Saebo and J. Almlof, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(89) 87442-1 154, 83 (1989); J. Almlof, K. Faegri, and K. Korsell, J. Comput. Chem. 3, 385 (1982).
- (1989) Chem. Phys. Lett. , vol.154 , pp. 83
- Saebo, S.¹ Almlof, J.²

54
- 84986450150
- S. Saebo and J. Almlof, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(89) 87442-1 154, 83 (1989); J. Almlof, K. Faegri, and K. Korsell, J. Comput. Chem. 3, 385 (1982).
- (1982) J. Comput. Chem. , vol.3 , pp. 385
- Almlof, J.¹ Faegri, K.² Korsell, K.³

55
- 0031572111
- A. K. Mazur, J. Comput. Phys. 136, 354 (1997).
- (1997) J. Comput. Phys. , vol.136 , pp. 354
- Mazur, A.K.¹

56
- 0013403652
- 0272-4979
- Q. Sheng, IMA J. Numer. Anal. 0272-4979 9, 199 (1989); S. Z. Burstein and A. A. Mirin, J. Comput. Phys. 0021-9991 10.1016/0021-9991(70)90080-X 5, 547 (1970); A. D. Bandrauk and H. Shen, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(91)90232-X 176, 428 (1991); A. D. Bandrauk and H. Shen, J. Chem. Phys. 99, 1185 (1993).
- (1989) IMA J. Numer. Anal. , vol.9 , pp. 199
- Sheng, Q.¹

57
- 0039208379
- 0021-9991 10.1016/0021-9991(70)90080-X
- Q. Sheng, IMA J. Numer. Anal. 0272-4979 9, 199 (1989); S. Z. Burstein and A. A. Mirin, J. Comput. Phys. 0021-9991 10.1016/0021-9991(70)90080-X 5, 547 (1970); A. D. Bandrauk and H. Shen, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(91)90232-X 176, 428 (1991); A. D. Bandrauk and H. Shen, J. Chem. Phys. 99, 1185 (1993).
- (1970) J. Comput. Phys. , vol.5 , pp. 547
- Burstein, S.Z.¹ Mirin, A.A.²

58
- 0001385261
- 0009-2614 10.1016/0009-2614(91)90232-X
- Q. Sheng, IMA J. Numer. Anal. 0272-4979 9, 199 (1989); S. Z. Burstein and A. A. Mirin, J. Comput. Phys. 0021-9991 10.1016/0021-9991(70)90080-X 5, 547 (1970); A. D. Bandrauk and H. Shen, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(91)90232-X 176, 428 (1991); A. D. Bandrauk and H. Shen, J. Chem. Phys. 99, 1185 (1993).
- (1991) Chem. Phys. Lett. , vol.176 , pp. 428
- Bandrauk, A.D.¹ Shen, H.²

59
- 36449006563
- Q. Sheng, IMA J. Numer. Anal. 0272-4979 9, 199 (1989); S. Z. Burstein and A. A. Mirin, J. Comput. Phys. 0021-9991 10.1016/0021-9991(70)90080-X 5, 547 (1970); A. D. Bandrauk and H. Shen, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(91)90232-X 176, 428 (1991); A. D. Bandrauk and H. Shen, J. Chem. Phys. 99, 1185 (1993).
- (1993) J. Chem. Phys. , vol.99 , pp. 1185
- Bandrauk, A.D.¹ Shen, H.²

60
- 33644865079
- 1050-2947 10.1103/PhysRevA.38.778
- K. C. Kulander, Phys. Rev. A 1050-2947 10.1103/PhysRevA.38.778 38, 778 (1988); M. Suzuki, J. Math. Phys. 26, 601 (1985).
- (1988) Phys. Rev. A , vol.38 , pp. 778
- Kulander, K.C.¹

61
- 0001755357
- K. C. Kulander, Phys. Rev. A 1050-2947 10.1103/PhysRevA.38.778 38, 778 (1988); M. Suzuki, J. Math. Phys. 26, 601 (1985).
- (1985) J. Math. Phys. , vol.26 , pp. 601
- Suzuki, M.¹

62
- 26444506281
- Wallingford, CT
- M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN, Development Version (Wallingford, CT, 2004).
- (2004)
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

63
- 0032533083
- R. E. Stratmann, G. E. Scuseria, and M. J. Frisch, J. Chem. Phys. 109, 8218 (1998).
- (1998) J. Chem. Phys. , vol.109 , pp. 8218
- Stratmann, R.E.¹ Scuseria, G.E.² Frisch, M.J.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.