SCOPUS 정보 검색 플랫폼

Journal of Chemical Physics

Volumn 131, Issue 4, 2009, Pages

Polarization of one-dimensional periodic systems in a static electric field: Sawtooth potential treatment revisited

(4) Kirtman, Bernard a Ferrero, Mauro b Ŕrat, Michel c Springborg, Michael d

a UNIVERSITY OF CALIFORNIA (United States)

b UNIVERSITY OF TURIN (Italy)

c UNIVERSITÉ DE PAU ET DES PAYS DE L'ADOUR (France)

d SAARLAND UNIVERSITY (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; DISCONTINUOUS POTENTIALS; ELECTROSTATIC FIELD; FINITE CHAINS; FINITE SYSTEMS; MODEL CALCULATIONS; ONE-DIMENSIONAL; ORGANIC SYSTEMS; PERIODIC SYSTEM; PERMANENT DIPOLES; PIECEWISE LINEAR; POLARIZABILITIES; SAWTOOTH POTENTIAL; STATIC ELECTRIC FIELDS; SYSTEM SIZE;

ELECTRIC FIELDS; PIECEWISE LINEAR TECHNIQUES;

BROWNIAN MOVEMENT;

EID: 68249095085 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3185727 Document Type: Article

Times cited : (13)

References (26)

1
- 38949117895
- Electric field control of structure, dimensionality, and reactivity of gold nanoclusters on metal-supported MgO films
- DOI 10.1103/PhysRevLett.100.056102
- B. Yoon and U. Landman, Phys. Rev. Lett. 0031-9007 100, 056102 (2008). 10.1103/PhysRevLett.100.056102 (Pubitemid 351230683)
- (2008) Physical Review Letters , vol.100 , Issue.5 , pp. 056102
- Yoon, B.¹ Landman, U.²

2
- 33947330754
- Efficient vector potential method for calculating electronic and nuclear response of infinite periodic systems to finite electric fields
- DOI 10.1063/1.2711202
- M. Springborg and B. Kirtman, J. Chem. Phys. 0021-9606 126, 104107 (2007). 10.1063/1.2711202 (Pubitemid 46440082)
- (2007) Journal of Chemical Physics , vol.126 , Issue.10 , pp. 104107
- Springborg, M.¹ Kirtman, B.²

3
- 37749001081
- 0163-1829, () 10.1103/PhysRevB.77.045102;, Phys. Rev. B 77, 209901 (E) (2008). 10.1103/PhysRevB.77.209901
- M. Springborg and B. Kirtman, Phys. Rev. B 0163-1829 77, 045102 (2008) 10.1103/PhysRevB.77.045102; M. Springborg and B. Kirtman, Phys. Rev. B 77, 209901 (E) (2008). 10.1103/PhysRevB.77.209901
- (2008) Phys. Rev. B , vol.77 , pp. 045102
- Springborg, M.¹ Kirtman, B.² Springborg, M.³ Kirtman, B.⁴

4
- 34547275232
- Berry phase approach to longitudinal dipole moments of infinite chains in electronic-structure methods with local basis sets
- DOI 10.1063/1.2743018
- K. N. Kudin, R. Car, and R. Resta, J. Chem. Phys. 0021-9606 126, 234101 (2007). 10.1063/1.2743018 (Pubitemid 47141460)
- (2007) Journal of Chemical Physics , vol.126 , Issue.23 , pp. 234101
- Kudin, K.N.¹ Car, R.² Resta, R.³

5
- 36348974510
- Quantization of the dipole moment and of the end charges in push-pull polymers
- DOI 10.1063/1.2799514
- K. N. Kudin, R. Car, and R. Resta, J. Chem. Phys. 0021-9606 127, 194902 (2007). 10.1063/1.2799514 (Pubitemid 350159098)
- (2007) Journal of Chemical Physics , vol.127 , Issue.19 , pp. 194902
- Kudin, K.N.¹ Car, R.² Resta, R.³

6
- 7444227520
- 0009-2614,. 10.1016/j.cplett.2004.08.067
- M. Springborg, B. Kirtman, and Y. Dong, Chem. Phys. Lett. 0009-2614 396, 404 (2004). 10.1016/j.cplett.2004.08.067
- (2004) Chem. Phys. Lett. , vol.396 , pp. 404
- Springborg, M.¹ Kirtman, B.² Dong, Y.³

7
- 0038454619
- 0192-8651,. 10.1002/jcc.10274
- C. Darrigan, M. Ŕrat, G. Mallia, and R. Dovesi, J. Comput. Chem. 0192-8651 24, 1305 (2003). 10.1002/jcc.10274
- (2003) J. Comput. Chem. , vol.24 , pp. 1305
- Darrigan, C.¹ Ŕrat, M.² Mallia, G.³ Dovesi, R.⁴

8
- 0001481661
- 0031-9007,. 10.1103/PhysRevLett.51.686
- K. Kunc and R. Resta, Phys. Rev. Lett. 0031-9007 51, 686 (1983). 10.1103/PhysRevLett.51.686
- (1983) Phys. Rev. Lett. , vol.51 , pp. 686
- Kunc, K.¹ Resta, R.²

9
- 44449116596
- 1472-7978.
- M. Ŕrat, M. Ferrero, and R. Dovesi, J. Comput. Methods Sci. Eng. 1472-7978 6, 233 (2006).
- (2006) J. Comput. Methods Sci. Eng. , vol.6 , pp. 233
- Ŕrat, M.¹ Ferrero, M.² Dovesi, R.³

10
- 39749194859
- 0009-2614,. 10.1016/j.cplett.2008.01.078
- M. Springborg and B. Kirtman, Chem. Phys. Lett. 0009-2614 454, 105 (2008). 10.1016/j.cplett.2008.01.078
- (2008) Chem. Phys. Lett. , vol.454 , pp. 105
- Springborg, M.¹ Kirtman, B.²

11
- 84990639494
- 0020-7608,. 10.1002/qua.560430113
- B. Kirtman, Int. J. Quantum Chem. 0020-7608 43, 147 (1992). 10.1002/qua.560430113
- (1992) Int. J. Quantum Chem. , vol.43 , pp. 147
- Kirtman, B.¹

12
- 33847162757
- (Universit̀ di Torino, Torino).
- R. Dovesi, V. R. Saunders, C. Roetti, R. Orlando, C. M. Zicovich-Wilson, F. Pascale, K. Doll, N. M. Harrison, B. Civalleri, I. J. Bush, P. D'Arco, and M. Llunell, CRYSTAL06 User's Manual (Universit̀ di Torino, Torino, 2006).
- (2006) CRYSTAL06 User's Manual
- Dovesi, R.¹ Saunders, V.R.² Roetti, C.³ Orlando, R.⁴ Zicovich-Wilson, C.M.⁵ Pascale, F.⁶ Doll, K.⁷ Harrison, N.M.⁸ Civalleri, B.⁹ Bush, I.J.¹⁰ D'Arco, P.¹¹ Llunell, M.¹²

13
- 0035830246
- Crystal orbital calculation of coupled Hartree-Fock dynamic (hyper)polarizabilities for prototype π-conjugated polymers
- DOI 10.1063/1.1416175
- F. L. Gu, D. M. Bishop, and B. Kirtman, J. Chem. Phys. 0021-9606 115, 10548 (2001). 10.1063/1.1416175 (Pubitemid 34061160)
- (2001) Journal of Chemical Physics , vol.115 , Issue.22 , pp. 10548-10556
- Gu, F.L.¹ Bishop, D.M.² Kirtman, B.³

14
- 0001415705
- 0021-9606,. 10.1063/1.462337
- B. Champagne, J. G. Fripiat, and J. Andŕ, J. Chem. Phys. 0021-9606 96, 8330 (1992). 10.1063/1.462337
- (1992) J. Chem. Phys. , vol.96 , pp. 8330
- Champagne, B.¹ Fripiat, J.G.² Andŕ, J.³

15
- 10844280273
- 0948-5023,. 10.1007/s008940050030
- F. L. Gu, P. Otto, and J. Ladik, J. Mol. Model. 0948-5023 3, 182 (1997). 10.1007/s008940050030
- (1997) J. Mol. Model. , vol.3 , pp. 182
- Gu, F.L.¹ Otto, P.² Ladik, J.³

16
- 33745623173
- Periodic hartree-fock and density functional theory calculations for Li-doped polyacetylene chains
- DOI 10.1063/1.2208363
- A. Ramirez-Solis, C. M. Zicovich-Wilson, and B. Kirtman, J. Chem. Phys. 0021-9606 124, 244703 (2006). 10.1063/1.2208363 (Pubitemid 43993035)
- (2006) Journal of Chemical Physics , vol.124 , Issue.24 , pp. 244703
- Ramirez-Solis, A.¹ Zicovich-Wilson, C.M.² Kirtman, B.³

17
- 0003400758
- Lecture Notes in Chemistry Vol. (Springer, Berlin).
- C. Pisani, R. Dovesi, and C. Roetti, Hartree-Fock Ab Initio Treatment of Crystalline Systems, Lecture Notes in Chemistry Vol. 48 (Springer, Berlin, 1988).
- (1988) Hartree-Fock Ab Initio Treatment of Crystalline Systems , vol.48
- Pisani, C.¹ Dovesi, R.² Roetti, C.³

18
- 0000203611
- 0026-8976,. 10.1080/00268979200102671
- V. R. Saunders, C. Freyria Fava, R. Dovesi, L. Salasco, and C. Roetti, Mol. Phys. 0026-8976 77, 629 (1992). 10.1080/00268979200102671
- (1992) Mol. Phys. , vol.77 , pp. 629
- Saunders, V.R.¹ Freyria Fava, C.² Dovesi, R.³ Salasco, L.⁴ Roetti, C.⁵

19
- 0028539807
- 0010-4655,. 10.1016/0010-4655(94)90209-7
- V. R. Saunders, C. Freyria Fava, R. Dovesi, and C. Roetti, Comput. Phys. Commun. 0010-4655 84, 156 (1994). 10.1016/0010-4655(94)90209-7
- (1994) Comput. Phys. Commun. , vol.84 , pp. 156
- Saunders, V.R.¹ Freyria Fava, C.² Dovesi, R.³ Roetti, C.⁴

20
- 0037105594
- Convergence of exchange lattice summations in direct-space polymer calculations
- DOI 10.1002/qua.10304
- D. Jacquemin, J. G. Fripiat, and B. Champagne, Int. J. Quantum Chem. 0020-7608 89, 452 (2002). 10.1002/qua.10304 (Pubitemid 35011747)
- (2002) International Journal of Quantum Chemistry , vol.89 , Issue.5 , pp. 452-463
- Jacquemin, D.¹ Fripiat, J.G.² Champagne, B.³

21
- 0029291951
- 0021-9606,. 10.1063/1.469262
- B. Kirtman, J. L. Toto, K. A. Robins, and M. Hasan, J. Chem. Phys. 0021-9606 102, 5350 (1995). 10.1063/1.469262
- (1995) J. Chem. Phys. , vol.102 , pp. 5350
- Kirtman, B.¹ Toto, J.L.² Robins, K.A.³ Hasan, M.⁴

22
- 0037108178
- 0020-7608,. 10.1002/qua.951
- B. Kirtman, B. Champagne, F. L. Gu, and D. M. Bishop, Int. J. Quantum Chem. 0020-7608 90, 709 (2002). 10.1002/qua.951
- (2002) Int. J. Quantum Chem. , vol.90 , pp. 709
- Kirtman, B.¹ Champagne, B.² Gu, F.L.³ Bishop, D.M.⁴

23
- 0034228622
- Extension of the Genkin and Mednis treatment for dynamic polarizabilities and hyperpolarizabilities of infinite periodic systems. I. Coupled perturbed Hartree-Fock theory
- DOI 10.1063/1.481907
- B. Kirtman, F. L. Gu, and D. M. Bishop, J. Chem. Phys. 0021-9606 113, 1294 (2000). 10.1063/1.481907 (Pubitemid 30903788)
- (2000) Journal of Chemical Physics , vol.113 , Issue.3 , pp. 1294-1309
- Kirtman, B.¹ Gu, F.L.² Bishop, D.M.³

24
- 0035335751
- n
- DOI 10.1063/1.1356019
- D. M. Bishop, F. L. Gu, and B. Kirtman, J. Chem. Phys. 0021-9606 114, 7633 (2001). 10.1063/1.1356019 (Pubitemid 32508773)
- (2001) Journal of Chemical Physics , vol.114 , Issue.17 , pp. 7633-7643
- Bishop, D.M.¹ Gu, F.L.² Kirtman, B.³

25
- 44449178442
- The calculation of static polarizabilities of 1-3D periodic compounds. the implementation in the CRYSTAL code
- DOI 10.1002/jcc.20905
- M. Ferrero, M. Ŕrat, R. Orlando, and R. Dovesi, J. Comput. Chem. 0192-8651 29, 1450 (2008). 10.1002/jcc.20905 (Pubitemid 351757768)
- (2008) Journal of Computational Chemistry , vol.29 , Issue.9 , pp. 1450-1459
- Perrero, M.¹ Rerat, M.² Orlando, R.³ Dovesi, R.⁴

26
- 58149231183
- 0021-9606,. 10.1063/1.3043366
- M. Ferrero, M. Ŕrat, B. Kirtman, and R. Dovesi, J. Chem. Phys. 0021-9606 129, 244110 (2008). 10.1063/1.3043366
- (2008) J. Chem. Phys. , vol.129 , pp. 244110
- Ferrero, M.¹ Ŕrat, M.² Kirtman, B.³ Dovesi, R.⁴

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.