-
4
-
-
84987058929
-
-
J. A. Pople, R. Seeger, and R. Krishnan, Int. J. Quantum Chem., Symp. 11, 149 (1977).
-
(1977)
Int. J. Quantum Chem., Symp.
, vol.11
, pp. 149
-
-
Pople, J.A.1
Seeger, R.2
Krishnan, R.3
-
6
-
-
84987097935
-
-
J. A. Pople, R. Krishnan, H. B. Schlegel, and J. S. Binkley, Int. J. Quantum Chem. 14, 545 (1978).
-
(1978)
Int. J. Quantum Chem.
, vol.14
, pp. 545
-
-
Pople, J.A.1
Krishnan, R.2
Schlegel, H.B.3
Binkley, J.S.4
-
11
-
-
0003849463
-
-
edited by J. M. Seminario (Elsevier Science, Amsterdam)
-
M. E. Casida, in Recent Developments and Applications of Modem Density functional Theory, Theoretical and Computational Chemistry, edited by J. M. Seminario (Elsevier Science, Amsterdam, 1996), Vol. 4.
-
(1996)
Recent Developments and Applications of Modem Density Functional Theory, Theoretical and Computational Chemistry
, vol.4
-
-
Casida, M.E.1
-
22
-
-
0032221816
-
-
C. F. Guerra, J. G. Snijders, G. te Velde, and E. J. Baerends, Theor. Chem. Acc. 99, 391 (1998).
-
(1998)
Theor. Chem. Acc.
, vol.99
, pp. 391
-
-
Guerra, C.F.1
Snijders, J.G.2
Te Velde, G.3
Baerends, E.J.4
-
25
-
-
0030567425
-
-
C. A. White, B. G. Johnson, P. M. W. Gill, and M. Head-Gordon, Chem. Phys. Lett. 253, 268 (1996); C. A. White, B. G. Johnson, P. M. W. Gill, and M. Head-Gordon, ibid. 230, 8 (1994).
-
(1996)
Chem. Phys. Lett.
, vol.253
, pp. 268
-
-
White, C.A.1
Johnson, B.G.2
Gill, P.M.W.3
Head-Gordon, M.4
-
26
-
-
24244438779
-
-
C. A. White, B. G. Johnson, P. M. W. Gill, and M. Head-Gordon, Chem. Phys. Lett. 253, 268 (1996); C. A. White, B. G. Johnson, P. M. W. Gill, and M. Head-Gordon, ibid. 230, 8 (1994).
-
(1994)
Chem. Phys. Lett.
, vol.230
, pp. 8
-
-
White, C.A.1
Johnson, B.G.2
Gill, P.M.W.3
Head-Gordon, M.4
-
32
-
-
0000664478
-
-
S. Goedecker and L. Colombo, Phys. Rev. Lett. 73, 122 (1994); S. Goedecker and M. Teter, Phys. Rev. B 51, 9455 (1995).
-
(1995)
Phys. Rev. B
, vol.51
, pp. 9455
-
-
Goedecker, S.1
Teter, M.2
-
34
-
-
33744671412
-
-
P. Ordejón, D. A. Drabold, M. P. Grumbach, and R. M. Martin, Phys. Rev. B 48, 14646 (1993).
-
(1993)
Phys. Rev. B
, vol.48
, pp. 14646
-
-
Ordejón, P.1
Drabold, D.A.2
Grumbach, M.P.3
Martin, R.M.4
-
47
-
-
0004161838
-
-
Cambridge University Press, New York
-
W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes in FORTRAN, 2nd ed. (Cambridge University Press, New York, 1992).
-
(1992)
Numerical Recipes in FORTRAN, 2nd Ed.
-
-
Press, W.H.1
Teukolsky, S.A.2
Vetterling, W.T.3
Flannery, B.P.4
-
51
-
-
0038527530
-
-
B. Champagne, E. A. Perpete, S. J. A. van Gisbergen. E. J. Baerends, J. G. Snijders, C. Soubra-Ghaoui, K. A. Robins, and B. Kirtman, J. Chem. Phys. 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.A.7
Kirtman, B.8
-
53
-
-
0021093572
-
-
J. L. Bredas, R. Silbey, D. S. Boudreaux, and R. R. Chance, J. Am. Chem. Soc. 105, 6555 (1983).
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 6555
-
-
Bredas, J.L.1
Silbey, R.2
Boudreaux, D.S.3
Chance, R.R.4
-
55
-
-
0034669434
-
-
W. Z. Liang, X. J. Wang, S. Yokojima, and G. H. Chen, J. Am. Chem. Soc. 122, 11129 (2000); W. Z. Liang. G. H. Chen, Z. M. Li, and Z. K. Tang, Appl. Phys. Lett. 80, 3415 (2002).
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 11129
-
-
Liang, W.Z.1
Wang, X.J.2
Yokojima, S.3
Chen, G.H.4
-
56
-
-
79955981249
-
-
W. Z. Liang, X. J. Wang, S. Yokojima, and G. H. Chen, J. Am. Chem. Soc. 122, 11129 (2000); W. Z. Liang. G. H. Chen, Z. M. Li, and Z. K. Tang, Appl. Phys. Lett. 80, 3415 (2002).
-
(2002)
Appl. Phys. Lett.
, vol.80
, pp. 3415
-
-
Liang, W.Z.1
Chen, G.H.2
Li, Z.M.3
Tang, Z.K.4
|