-
5
-
-
84981648542
-
-
D. E. Bernholdt, E. Apra, H. A. Fruchtl, et al., Int. J. Quantum Chem., Symp. 29, 475 (1995).
-
(1995)
Int. J. Quantum Chem., Symp.
, vol.29
, pp. 475
-
-
Bernholdt, D.E.1
Apra, E.2
Fruchtl, H.A.3
-
8
-
-
0000109748
-
-
L. A. Curtiss, K. Raghavachari, P. C. Redfern, and J. A. Pople, J. Chem. Phys. 106, 1063 (1997).
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 1063
-
-
Curtiss, L.A.1
Raghavachari, K.2
Redfern, P.C.3
Pople, J.A.4
-
10
-
-
22244474611
-
-
L. A. Curtiss, P. C. Redfem, K. Raghavachari, and J. A. Pople, J. Chem. Phys. 109, 42 (1998).
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 42
-
-
Curtiss, L.A.1
Redfem, P.C.2
Raghavachari, K.3
Pople, J.A.4
-
12
-
-
0000189651
-
-
A. D. Becke, J. Chem. Phys. 98, 1372 (1993); 98, 5648 (1993).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
-
28
-
-
11944252202
-
-
J. B. Krieger, Y. Li, and G. J. Iafrate, Phys. Rev. A 45, 101 (1992); 46, 5453 (1992); 47, 165 (1993).
-
(1992)
Phys. Rev. A
, vol.45
, pp. 101
-
-
Krieger, J.B.1
Li, Y.2
Iafrate, G.J.3
-
29
-
-
4243841807
-
-
J. B. Krieger, Y. Li, and G. J. Iafrate, Phys. Rev. A 45, 101 (1992); 46, 5453 (1992); 47, 165 (1993).
-
(1992)
Phys. Rev. A
, vol.46
, pp. 5453
-
-
-
30
-
-
0042794564
-
-
J. B. Krieger, Y. Li, and G. J. Iafrate, Phys. Rev. A 45, 101 (1992); 46, 5453 (1992); 47, 165 (1993).
-
(1993)
Phys. Rev. A
, vol.47
, pp. 165
-
-
-
31
-
-
26544475305
-
-
A. Görling and M. Levy, Phys. Rev. A 50, 196 (1994); Int. J. Quantum. Chem., Symp. 29, 93 (1995).
-
(1994)
Phys. Rev. A
, vol.50
, pp. 196
-
-
Görling, A.1
Levy, M.2
-
32
-
-
26544475305
-
-
A. Görling and M. Levy, Phys. Rev. A 50, 196 (1994); Int. J. Quantum. Chem., Symp. 29, 93 (1995).
-
(1995)
Int. J. Quantum. Chem., Symp.
, vol.29
, pp. 93
-
-
-
34
-
-
0039481039
-
-
edited by J. F. Dobson, G. Vignale, and M. P. Das (Plenum, New York)
-
L. C. Wilson and S. Ivanov, in Electronic Density Functional Theory: Recent Progress and New Directions, edited by J. F. Dobson, G. Vignale, and M. P. Das (Plenum, New York, 1998), p. 133.
-
(1998)
Electronic Density Functional Theory: Recent Progress and New Directions
, pp. 133
-
-
Wilson, L.C.1
Ivanov, S.2
-
48
-
-
0000357332
-
-
J. P. Perdew, E. R. McMullen, and A. Zunger, Phys. Rev. A 23, 2785 (1981); M. R. Pederson and C. C. Lin, J. Chem. Phys. 88, 1807 (1988); L. Severin, M. Richter, and L. Steinheck, Phys. Rev. B 55, 9211 (1997); X. M. Tong and S.-I. Chu, Phys. Rev. A 57, 855 (1998); Y. Li and J. B. Krieger, ibid. 41, 1701 (1990).
-
(1981)
Phys. Rev. A
, vol.23
, pp. 2785
-
-
Perdew, J.P.1
McMullen, E.R.2
Zunger, A.3
-
49
-
-
0000087262
-
-
J. P. Perdew, E. R. McMullen, and A. Zunger, Phys. Rev. A 23, 2785 (1981); M. R. Pederson and C. C. Lin, J. Chem. Phys. 88, 1807 (1988); L. Severin, M. Richter, and L. Steinheck, Phys. Rev. B 55, 9211 (1997); X. M. Tong and S.-I. Chu, Phys. Rev. A 57, 855 (1998); Y. Li and J. B. Krieger, ibid. 41, 1701 (1990).
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 1807
-
-
Pederson, M.R.1
Lin, C.C.2
-
50
-
-
0003817658
-
-
J. P. Perdew, E. R. McMullen, and A. Zunger, Phys. Rev. A 23, 2785 (1981); M. R. Pederson and C. C. Lin, J. Chem. Phys. 88, 1807 (1988); L. Severin, M. Richter, and L. Steinheck, Phys. Rev. B 55, 9211 (1997); X. M. Tong and S.-I. Chu, Phys. Rev. A 57, 855 (1998); Y. Li and J. B. Krieger, ibid. 41, 1701 (1990).
-
(1997)
Phys. Rev. B
, vol.55
, pp. 9211
-
-
Severin, L.1
Richter, M.2
Steinheck, L.3
-
51
-
-
0000309395
-
-
J. P. Perdew, E. R. McMullen, and A. Zunger, Phys. Rev. A 23, 2785 (1981); M. R. Pederson and C. C. Lin, J. Chem. Phys. 88, 1807 (1988); L. Severin, M. Richter, and L. Steinheck, Phys. Rev. B 55, 9211 (1997); X. M. Tong and S.-I. Chu, Phys. Rev. A 57, 855 (1998); Y. Li and J. B. Krieger, ibid. 41, 1701 (1990).
-
(1998)
Phys. Rev. A
, vol.57
, pp. 855
-
-
Tong, X.M.1
Chu, S.-I.2
-
52
-
-
0001016280
-
-
J. P. Perdew, E. R. McMullen, and A. Zunger, Phys. Rev. A 23, 2785 (1981); M. R. Pederson and C. C. Lin, J. Chem. Phys. 88, 1807 (1988); L. Severin, M. Richter, and L. Steinheck, Phys. Rev. B 55, 9211 (1997); X. M. Tong and S.-I. Chu, Phys. Rev. A 57, 855 (1998); Y. Li and J. B. Krieger, ibid. 41, 1701 (1990).
-
(1990)
Phys. Rev. A
, vol.41
, pp. 1701
-
-
Li, Y.1
Krieger, J.B.2
-
53
-
-
0001728634
-
-
J. Chen, J. B. Krieger, Y. Li, and G. J. Iafrate, Phys. Rev. A 54, 3939 (1996).
-
(1996)
Phys. Rev. A
, vol.54
, pp. 3939
-
-
Chen, J.1
Krieger, J.B.2
Li, Y.3
Iafrate, G.J.4
-
55
-
-
0001103005
-
-
N. P. Blake and H. Metiu, J. Chem. Phys. 109, 9977 (1998); 110, 7457 (1999); M. R. Pederson, R. A. Heaton, and J. G. Harrison, Phys. Rev. B 39, 1581 (1989).
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 9977
-
-
Blake, N.P.1
Metiu, H.2
-
56
-
-
0343596096
-
-
N. P. Blake and H. Metiu, J. Chem. Phys. 109, 9977 (1998); 110, 7457 (1999); M. R. Pederson, R. A. Heaton, and J. G. Harrison, Phys. Rev. B 39, 1581 (1989).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 7457
-
-
-
57
-
-
0039752146
-
-
N. P. Blake and H. Metiu, J. Chem. Phys. 109, 9977 (1998); 110, 7457 (1999); M. R. Pederson, R. A. Heaton, and J. G. Harrison, Phys. Rev. B 39, 1581 (1989).
-
(1989)
Phys. Rev. B
, vol.39
, pp. 1581
-
-
Pederson, M.R.1
Heaton, R.A.2
Harrison, J.G.3
-
59
-
-
0000174514
-
-
R. Pederson, R. A. Heaton, and C. C. Lin, J. Chem. Phys. 80, 1972 (1984); 82, 2688 (1985).
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 1972
-
-
Pederson, R.1
Heaton, R.A.2
Lin, C.C.3
-
60
-
-
84928002724
-
-
R. Pederson, R. A. Heaton, and C. C. Lin, J. Chem. Phys. 80, 1972 (1984); 82, 2688 (1985).
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 2688
-
-
-
61
-
-
0000087262
-
-
M. R. Pederson and C. C. Lin, J. Chem. Phys. 88, 1807 (1988); E. S. Fois, J. I. Penman, and P. A. Madden, ibid. 98, 6352 (1993).
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 1807
-
-
Pederson, M.R.1
Lin, C.C.2
-
62
-
-
0000612189
-
-
M. R. Pederson and C. C. Lin, J. Chem. Phys. 88, 1807 (1988); E. S. Fois, J. I. Penman, and P. A. Madden, ibid. 98, 6352 (1993).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 6352
-
-
Fois, E.S.1
Penman, J.I.2
Madden, P.A.3
-
77
-
-
0343160665
-
-
R. Vargas, J. Garza, D. A. Dixon, and J. A. Nichols (unpublished)
-
R. Vargas, J. Garza, D. A. Dixon, and J. A. Nichols (unpublished).
-
-
-
-
78
-
-
0342726158
-
-
The experimental excitation energies were obtained from NIST Physics Laboratory data base
-
The experimental excitation energies were obtained from NIST Physics Laboratory data base, http://physlab.nist.gov/lab.html
-
-
-
-
79
-
-
0000142057
-
-
A. J. Arduengo III, H. Bocks, H. Chen, M. Denk, D. A. Dixon, J. C. Green, W. A. Herrmann, N. L. Jones, M. Wagner, und R. West, J. Am. Chem. Soc. 116, 6641 (1994).
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 6641
-
-
Arduengo A.J. III1
Bocks, H.2
Chen, H.3
Denk, M.4
Dixon, D.A.5
Green, J.C.6
Herrmann, W.A.7
Jones, N.L.8
Wagner, M.9
West, R.10
-
81
-
-
0003588966
-
-
Van Nostrand, Princeton
-
K. P. Huber and G. Herzberg, Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules (Van Nostrand, Princeton, 1979); J. H. Callomon, E. Hirota, K. Kuchitsu, W. J. Lafferty, A. G. Maki, and C. S. Pote, in Numerical Data and Function Relationships in Science and Technology. Structure Data on Free Polyatomic Molecules, edited by K. H. Hellwege (Springer-Verlag, West Berlin, 1976). Vol. 7.
-
(1979)
Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules
-
-
Huber, K.P.1
Herzberg, G.2
-
82
-
-
0003395029
-
-
edited by K. H. Hellwege (Springer-Verlag, West Berlin)
-
K. P. Huber and G. Herzberg, Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules (Van Nostrand, Princeton, 1979); J. H. Callomon, E. Hirota, K. Kuchitsu, W. J. Lafferty, A. G. Maki, and C. S. Pote, in Numerical Data and Function Relationships in Science and Technology. Structure Data on Free Polyatomic Molecules, edited by K. H. Hellwege (Springer-Verlag, West Berlin, 1976). Vol. 7.
-
(1976)
Numerical Data and Function Relationships in Science and Technology. Structure Data on Free Polyatomic Molecules
, vol.7
-
-
Callomon, J.H.1
Hirota, E.2
Kuchitsu, K.3
Lafferty, W.J.4
Maki, A.G.5
Pote, C.S.6
-
83
-
-
0002999684
-
-
edited by P. O. Löwdin (Academic, New York)
-
S. F. Boys, in Quantum Science of Atoms, Molecules, and Solids, edited by P. O. Löwdin (Academic, New York, 1966), pp. 253-262; C. Edmiston and K. Ruedenberg, Rev. Mod. Phys. 35, 467 (1963).
-
(1966)
Quantum Science of Atoms, Molecules, and Solids
, pp. 253-262
-
-
Boys, S.F.1
-
84
-
-
0342726157
-
-
S. F. Boys, in Quantum Science of Atoms, Molecules, and Solids, edited by P. O. Löwdin (Academic, New York, 1966), pp. 253-262; C. Edmiston and K. Ruedenberg, Rev. Mod. Phys. 35, 467 (1963).
-
(1963)
Rev. Mod. Phys.
, vol.35
, pp. 467
-
-
Edmiston, C.1
Ruedenberg, K.2
-
89
-
-
0003779036
-
-
Academic, London
-
A. C. Hurley, Introduction to the Electronic Theory of Small Molecules (Academic, London, 1976); M. E. Casida, C. Jamorski, K. C. Casida, and D. R. Salahub, J. Chem. Phys. 108, 4439 (1998).
-
(1976)
Introduction to the Electronic Theory of Small Molecules
-
-
Hurley, A.C.1
-
90
-
-
0000287603
-
-
A. C. Hurley, Introduction to the Electronic Theory of Small Molecules (Academic, London, 1976); M. E. Casida, C. Jamorski, K. C. Casida, and D. R. Salahub, J. Chem. Phys. 108, 4439 (1998).
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 4439
-
-
Casida, M.E.1
Jamorski, C.2
Casida, K.C.3
Salahub, D.R.4
-
96
-
-
0343596085
-
-
M. S. Gopinathan, Phys. Rev. A 15, 2135 (1977); M. S. Gopinathan, M. A. Whitehead, and R. Bogdanovic, ibid. 14, 1 (1976). M. S. Gopinathan and M. A. Whitehead, 1sr. J. Chem. 19, 209 (1980); T. J. Tseng and M. A. Whitehead, Phys. Rev. A 24, 16 (1981); 24, 21 (1981); N. Vaidehi and M. S. Gopinathan, ibid. 29, 1679 (1984).
-
(1977)
Phys. Rev. A
, vol.15
, pp. 2135
-
-
Gopinathan, M.S.1
-
97
-
-
0006321589
-
-
M. S. Gopinathan, Phys. Rev. A 15, 2135 (1977); M. S. Gopinathan, M. A. Whitehead, and R. Bogdanovic, ibid. 14, 1 (1976). M. S. Gopinathan and M. A. Whitehead, 1sr. J. Chem. 19, 209 (1980); T. J. Tseng and M. A. Whitehead, Phys. Rev. A 24, 16 (1981); 24, 21 (1981); N. Vaidehi and M. S. Gopinathan, ibid. 29, 1679 (1984).
-
(1976)
Phys. Rev. A
, vol.14
, pp. 1
-
-
Gopinathan, M.S.1
Whitehead, M.A.2
Bogdanovic, R.3
-
98
-
-
0343596085
-
-
M. S. Gopinathan, Phys. Rev. A 15, 2135 (1977); M. S. Gopinathan, M. A. Whitehead, and R. Bogdanovic, ibid. 14, 1 (1976). M. S. Gopinathan and M. A. Whitehead, 1sr. J. Chem. 19, 209 (1980); T. J. Tseng and M. A. Whitehead, Phys. Rev. A 24, 16 (1981); 24, 21 (1981); N. Vaidehi and M. S. Gopinathan, ibid. 29, 1679 (1984).
-
(1980)
1sr. J. Chem.
, vol.19
, pp. 209
-
-
Gopinathan, M.S.1
Whitehead, M.A.2
-
99
-
-
0002617086
-
-
M. S. Gopinathan, Phys. Rev. A 15, 2135 (1977); M. S. Gopinathan, M. A. Whitehead, and R. Bogdanovic, ibid. 14, 1 (1976). M. S. Gopinathan and M. A. Whitehead, 1sr. J. Chem. 19, 209 (1980); T. J. Tseng and M. A. Whitehead, Phys. Rev. A 24, 16 (1981); 24, 21 (1981); N. Vaidehi and M. S. Gopinathan, ibid. 29, 1679 (1984).
-
(1981)
Phys. Rev. A
, vol.24
, pp. 16
-
-
Tseng, T.J.1
Whitehead, M.A.2
-
100
-
-
0343596085
-
-
M. S. Gopinathan, Phys. Rev. A 15, 2135 (1977); M. S. Gopinathan, M. A. Whitehead, and R. Bogdanovic, ibid. 14, 1 (1976). M. S. Gopinathan and M. A. Whitehead, 1sr. J. Chem. 19, 209 (1980); T. J. Tseng and M. A. Whitehead, Phys. Rev. A 24, 16 (1981); 24, 21 (1981); N. Vaidehi and M. S. Gopinathan, ibid. 29, 1679 (1984).
-
(1981)
Phys. Rev. A
, vol.24
, pp. 21
-
-
-
101
-
-
0342291026
-
-
M. S. Gopinathan, Phys. Rev. A 15, 2135 (1977); M. S. Gopinathan, M. A. Whitehead, and R. Bogdanovic, ibid. 14, 1 (1976). M. S. Gopinathan and M. A. Whitehead, 1sr. J. Chem. 19, 209 (1980); T. J. Tseng and M. A. Whitehead, Phys. Rev. A 24, 16 (1981); 24, 21 (1981); N. Vaidehi and M. S. Gopinathan, ibid. 29, 1679 (1984).
-
(1984)
Phys. Rev. A
, vol.29
, pp. 1679
-
-
Vaidehi, N.1
Gopinathan, M.S.2
|