-
1
-
-
0001712763
-
-
JPCAFH 1089-5639 10.1021/jp962751m
-
B. Champagne, D. Jacquemin, J.-M. André, and B. Kirtman, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp962751m 101, 3158 (1997).
-
(1997)
J. Phys. Chem. a
, vol.101
, pp. 3158
-
-
Champagne, B.1
Jacquemin, D.2
André, J.-M.3
Kirtman, B.4
-
2
-
-
0037281530
-
-
CMAPDK 0898-1221 10.1016/S0898-1221(03)80014-7
-
E. J. Weniger and B. Kirtman, Comput. Math. Appl. CMAPDK 0898-1221 10.1016/S0898-1221(03)80014-7 45, 189 (2003).
-
(2003)
Comput. Math. Appl.
, vol.45
, pp. 189
-
-
Weniger, E.J.1
Kirtman, B.2
-
3
-
-
24144465702
-
-
JCPSA6 0021-9606 10.1063/1.1871934
-
K. N. Kudin, R. Car, and R. Resta, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1871934 122, 134907 (2005).
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 134907
-
-
Kudin, K.N.1
Car, R.2
Resta, R.3
-
5
-
-
0001481661
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.51.686
-
K. Kunc and R. Resta, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.51.686 51, 686 (1983).
-
(1983)
Phys. Rev. Lett.
, vol.51
, pp. 686
-
-
Kunc, K.1
Resta, R.2
-
8
-
-
0038454619
-
-
JCCHDD 0192-8651 10.1002/jcc.10274
-
C. Darrigan, M. Rérat, G. Mallia, and R. Dovesi, J. Comput. Chem. JCCHDD 0192-8651 10.1002/jcc.10274 24, 1305 (2003).
-
(2003)
J. Comput. Chem.
, vol.24
, pp. 1305
-
-
Darrigan, C.1
Rérat, M.2
Mallia, G.3
Dovesi, R.4
-
11
-
-
0001198298
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.45.10876
-
P. Otto, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.10876 45, 10876 (1992).
-
(1992)
Phys. Rev. B
, vol.45
, pp. 10876
-
-
Otto, P.1
-
12
-
-
0034319663
-
-
JCPSA6 0021-9606 10.1063/1.1315999
-
K. N. Kudin and G. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1315999 113, 7779 (2000).
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 7779
-
-
Kudin, K.N.1
Scuseria, G.2
-
14
-
-
0141910049
-
-
JCPSA6 0021-9606 10.1063/1.477995
-
P. Otto, F. L. Gu, and J. Ladik, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.477995 110, 2717 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 2717
-
-
Otto, P.1
Gu, F.L.2
Ladik, J.3
-
15
-
-
0000969007
-
-
JCPSA6 0021-9606 10.1063/1.480727
-
D. Jacquemin and B. Champagne, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.480727 112, 1616 (2000).
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 1616
-
-
Jacquemin, D.1
Champagne, B.2
-
16
-
-
3543103556
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.47.1651
-
R. D. King-Smith and D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.1651 47, 1651 (1993).
-
(1993)
Phys. Rev. B
, vol.47
, pp. 1651
-
-
King-Smith, R.D.1
Vanderbilt, D.2
-
17
-
-
12044256522
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.66.899
-
R. Resta, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.66.899 66, 899 (1994).
-
(1994)
Rev. Mod. Phys.
, vol.66
, pp. 899
-
-
Resta, R.1
-
18
-
-
0001462282
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.80.1800
-
R. Resta, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.1800 80, 1800 (1998).
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 1800
-
-
Resta, R.1
-
20
-
-
0035535380
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.73.515
-
S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.73.515 73, 515 (2001).
-
(2001)
Rev. Mod. Phys.
, vol.73
, pp. 515
-
-
Baroni, S.1
De Gironcoli, S.2
Dal Corso, A.3
Giannozzi, P.4
-
21
-
-
0000621478
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.57.2556
-
S. J. A. van Gisbergen, F. Kootstra, P. R. T. Schipper, O. V. Gritsenko, J. G. Snijders, and E. J. Baerends, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.57.2556 57, 2556 (1998).
-
(1998)
Phys. Rev. a
, vol.57
, pp. 2556
-
-
Van Gisbergen, S.J.A.1
Kootstra, F.2
Schipper, P.R.T.3
Gritsenko, O.V.4
Snijders, J.G.5
Baerends, E.J.6
-
22
-
-
0034900723
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.63.155107
-
R. W. Nunes and X. Gonze, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.155107 63, 155107 (2001).
-
(2001)
Phys. Rev. B
, vol.63
, pp. 155107
-
-
Nunes, R.W.1
Gonze, X.2
-
23
-
-
0037048416
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.89.117602
-
I. Souza, J. Íñiguez, and D. Vanderbilt, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.117602 89, 117602 (2002).
-
(2002)
Phys. Rev. Lett.
, vol.89
, pp. 117602
-
-
Souza, I.1
Íñiguez, J.2
Vanderbilt, D.3
-
24
-
-
0037037908
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.89.157602
-
P. Umari and A. Pasquarello, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.157602 89, 157602 (2002).
-
(2002)
Phys. Rev. Lett.
, vol.89
, pp. 157602
-
-
Umari, P.1
Pasquarello, A.2
-
25
-
-
0042919224
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.91.057601
-
H. Fu and L. Bellaiche, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.057601 91, 057601 (2003).
-
(2003)
Phys. Rev. Lett.
, vol.91
, pp. 057601
-
-
Fu, H.1
Bellaiche, L.2
-
27
-
-
34347350165
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.75.205121
-
M. Stengel and N. A. Spaldin, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.75.205121 75, 205121 (2007).
-
(2007)
Phys. Rev. B
, vol.75
, pp. 205121
-
-
Stengel, M.1
Spaldin, N.A.2
-
28
-
-
33144479564
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.96.056401
-
O. Diéguez and D. Vanderbilt, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.056401 96, 056401 (2006).
-
(2006)
Phys. Rev. Lett.
, vol.96
, pp. 056401
-
-
Diéguez, O.1
Vanderbilt, D.2
-
29
-
-
33748553999
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.97.107602
-
X. Wu, O. Diéguez, K. M. Rabe, and D. Vanderbilt, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.97.107602 97, 107602 (2006).
-
(2006)
Phys. Rev. Lett.
, vol.97
, pp. 107602
-
-
Wu, X.1
Diéguez, O.2
Rabe, K.M.3
Vanderbilt, D.4
-
30
-
-
1842531937
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.69.085106
-
I. Souza, J. Íñiguez, and D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.085106 69, 085106 (2004).
-
(2004)
Phys. Rev. B
, vol.69
, pp. 085106
-
-
Souza, I.1
Íñiguez, J.2
Vanderbilt, D.3
-
34
-
-
77956944547
-
-
SSPHAE 0081-1947
-
E. I. Blount, Solid State Phys. SSPHAE 0081-1947 13, 305 (1962).
-
(1962)
Solid State Phys.
, vol.13
, pp. 305
-
-
Blount, E.I.1
-
35
-
-
0037108178
-
-
IJQCB2 0020-7608 10.1002/qua.951
-
B. Kirtman, B. Champagne, F. L. Gu, and D. M. Bishop, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/qua.951 90, 709 (2002).
-
(2002)
Int. J. Quantum Chem.
, vol.90
, pp. 709
-
-
Kirtman, B.1
Champagne, B.2
Gu, F.L.3
Bishop, D.M.4
-
36
-
-
0037846139
-
-
CHPLBC 0009-2614
-
B. Champagne, D. Jacquemin, F. L. Gu, Y. Aoki, B. Kirtman, and D. M. Bishop, Chem. Phys. Lett. CHPLBC 0009-2614 373, 539 (2003).
-
(2003)
Chem. Phys. Lett.
, vol.373
, pp. 539
-
-
Champagne, B.1
Jacquemin, D.2
Gu, F.L.3
Aoki, Y.4
Kirtman, B.5
Bishop, D.M.6
-
38
-
-
0036639911
-
-
JCPSA6 0021-9606 10.1063/1.1480876
-
F. L. Gu, Y. Aoki, and D. M. Bishop, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1480876 117, 385 (2002).
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 385
-
-
Gu, F.L.1
Aoki, Y.2
Bishop, D.M.3
-
39
-
-
33947330754
-
-
JCPSA6 0021-9606 10.1063/1.2711202
-
M. Springborg and B. Kirtman, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2711202 126, 104107 (2007).
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 104107
-
-
Springborg, M.1
Kirtman, B.2
-
40
-
-
37749014438
-
-
arXiv:math.NA/0306092 (unpublished).
-
M. Dvornikov, arXiv:math.NA/0306092 (unpublished).
-
-
-
Dvornikov, M.1
-
41
-
-
0003478982
-
-
Wiley, Chichester
-
T. Helgaker, P. Jørgensen, and J. Olsen, Molecular Electronic-Structure Theory (Wiley, Chichester, 2000), p. 438.
-
(2000)
Molecular Electronic-Structure Theory
, pp. 438
-
-
Helgaker, T.1
Jørgensen, P.2
Olsen, J.3
-
42
-
-
84990639494
-
-
IJQCB2 0020-7608 10.1002/qua.560430113
-
B. Kirtman, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/qua.560430113 43, 147 (1992).
-
(1992)
Int. J. Quantum Chem.
, vol.43
, pp. 147
-
-
Kirtman, B.1
-
45
-
-
0038527530
-
-
JCPSA6 0021-9606 10.1063/1.477731
-
B. Champagne, E. A. Perpete, S. J. A. van Gisbergen, E. J. Baerends, J. G. Snijders, C. Soubra-Ghaoui, K. Robins, and B. Kirtman, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.477731 109, 10489 (1998).
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 10489
-
-
Champagne, B.1
Perpete, E.A.2
Van Gisbergen, S.J.A.3
Baerends, E.J.4
Snijders, J.G.5
Soubra-Ghaoui, C.6
Robins, K.7
Kirtman, B.8
-
46
-
-
0343169730
-
-
JPCAFH 1089-5639 10.1021/jp993839d
-
B. Champagne, E. A. Perpete, D. Jacquemin, S. J. A. van Gisbergen, E. J. Baerends, C. Soubra-Ghaoui, K. A. Robins, and B. Kirtman, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp993839d 104, 4755 (2000).
-
(2000)
J. Phys. Chem. a
, vol.104
, pp. 4755
-
-
Champagne, B.1
Perpete, E.A.2
Jacquemin, D.3
Van Gisbergen, S.J.A.4
Baerends, E.J.5
Soubra-Ghaoui, C.6
Robins, K.A.7
Kirtman, B.8
-
48
-
-
0034300427
-
-
See, for example, JCPSA6 0021-9606 10.1063/1.1290022
-
See, for example, J. M. Luis, M. Duran, B. Champagne, and B. Kirtman, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1290022 113, 5203 (2000).
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 5203
-
-
Luis, J.M.1
Duran, M.2
Champagne, B.3
Kirtman, B.4
-
49
-
-
33747073706
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.48.4442
-
D. Vanderbilt and R. D. King-Smith, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.48.4442 48, 4442 (1993).
-
(1993)
Phys. Rev. B
, vol.48
, pp. 4442
-
-
Vanderbilt, D.1
King-Smith, R.D.2
-
50
-
-
0000744906
-
-
JCPSA6 0021-9606 10.1063/1.474892
-
D. Jacquemin, B. Champagne, J. M. André, and B. Kirtman, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.474892 107, 5076 (1997).
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 5076
-
-
Jacquemin, D.1
Champagne, B.2
André, J.M.3
Kirtman, B.4
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