-
2
-
-
33749406682
-
-
K. H. Johnson, Adv. Quantum Chem. 7, 143 (1973); D. E. Ellis and G. S. Painter, Phys. Rev. B 12, 3060 (1975); A. A. Latsnelson, V. S. Stepanyuk, A. I. Szasz, and O. V. Faberovich, Computational Methods in Condensed Matter: Electronic Structure (AIP, New York, 1992).
-
(1973)
Adv. Quantum Chem.
, vol.7
, pp. 143
-
-
Johnson, K.H.1
-
3
-
-
33749406682
-
-
K. H. Johnson, Adv. Quantum Chem. 7, 143 (1973); D. E. Ellis and G. S. Painter, Phys. Rev. B 12, 3060 (1975); A. A. Latsnelson, V. S. Stepanyuk, A. I. Szasz, and O. V. Faberovich, Computational Methods in Condensed Matter: Electronic Structure (AIP, New York, 1992).
-
(1975)
Phys. Rev. B
, vol.12
, pp. 3060
-
-
Ellis, D.E.1
Painter, G.S.2
-
4
-
-
33749406682
-
-
AIP, New York
-
K. H. Johnson, Adv. Quantum Chem. 7, 143 (1973); D. E. Ellis and G. S. Painter, Phys. Rev. B 12, 3060 (1975); A. A. Latsnelson, V. S. Stepanyuk, A. I. Szasz, and O. V. Faberovich, Computational Methods in Condensed Matter: Electronic Structure (AIP, New York, 1992).
-
(1992)
Computational Methods in Condensed Matter: Electronic Structure
-
-
Latsnelson, A.A.1
Stepanyuk, V.S.2
Szasz, A.I.3
Faberovich, O.V.4
-
6
-
-
77958068162
-
-
Gaussian, Inc., Pittsburgh, PA
-
M. J. Frisch, Æ. Frisch, and J. B. Foresman, Gaussian 94 Proframmer's Reference (Gaussian, Inc., Pittsburgh, PA, 1995).
-
(1995)
Gaussian 94 Proframmer's Reference
-
-
Frisch, M.J.1
Frisch, Æ.2
Foresman, J.B.3
-
12
-
-
0010922186
-
-
Gaussian, Inc., Pittsburgh, PA
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, S. J. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, Gaussian 94, Revision B.3 (Gaussian, Inc., Pittsburgh, PA, 1995).
-
(1995)
Gaussian 94, Revision B.3
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Peng, C.Y.16
Ayala, P.Y.17
Chen, W.18
Wong, M.W.19
Andres, J.L.20
Replogle, E.S.21
Gomperts, R.22
Martin, R.L.23
Fox, D.J.24
Binkley, S.J.25
Defrees, D.J.26
Baker, J.27
Stewart, J.P.28
Head-Gordon, M.29
Gonzalez, C.30
Pople, J.A.31
more..
-
13
-
-
2342430094
-
-
C. C. J. Roothan, Rev. Mod. Phys. 23, 69 (1951); J. A. Pople and R. K. Nesbet, J. Chem. Phys. 22, 571 (1959); R. McWeeny and G. Dierksen, J. Chem. Phys. 49, 4852 (1968).
-
(1951)
Rev. Mod. Phys.
, vol.23
, pp. 69
-
-
Roothan, C.C.J.1
-
14
-
-
3342906428
-
-
C. C. J. Roothan, Rev. Mod. Phys. 23, 69 (1951); J. A. Pople and R. K. Nesbet, J. Chem. Phys. 22, 571 (1959); R. McWeeny and G. Dierksen, J. Chem. Phys. 49, 4852 (1968).
-
(1959)
J. Chem. Phys.
, vol.22
, pp. 571
-
-
Pople, J.A.1
Nesbet, R.K.2
-
15
-
-
0003508707
-
-
C. C. J. Roothan, Rev. Mod. Phys. 23, 69 (1951); J. A. Pople and R. K. Nesbet, J. Chem. Phys. 22, 571 (1959); R. McWeeny and G. Dierksen, J. Chem. Phys. 49, 4852 (1968).
-
(1968)
J. Chem. Phys.
, vol.49
, pp. 4852
-
-
McWeeny, R.1
Dierksen, G.2
-
16
-
-
6944251055
-
-
C. Møller and M. S. Plesset, Phys. Rev. 46, 618 (1934); S. Saebo and J. Almlof, Chem. Phys. Lett. 154, 83 (1989); J. A. Pople, J. S. Binkley, and R. Seeger, Int. J. Quantum Chem. Symp. 10, 1 (1976).
-
(1934)
Phys. Rev.
, vol.46
, pp. 618
-
-
Møller, C.1
Plesset, M.S.2
-
17
-
-
0002319063
-
-
C. Møller and M. S. Plesset, Phys. Rev. 46, 618 (1934); S. Saebo and J. Almlof, Chem. Phys. Lett. 154, 83 (1989); J. A. Pople, J. S. Binkley, and R. Seeger, Int. J. Quantum Chem. Symp. 10, 1 (1976).
-
(1989)
Chem. Phys. Lett.
, vol.154
, pp. 83
-
-
Saebo, S.1
Almlof, J.2
-
18
-
-
84986444438
-
-
C. Møller and M. S. Plesset, Phys. Rev. 46, 618 (1934); S. Saebo and J. Almlof, Chem. Phys. Lett. 154, 83 (1989); J. A. Pople, J. S. Binkley, and R. Seeger, Int. J. Quantum Chem. Symp. 10, 1 (1976).
-
(1976)
Int. J. Quantum Chem. Symp.
, vol.10
, pp. 1
-
-
Pople, J.A.1
Binkley, J.S.2
Seeger, R.3
-
20
-
-
10644250257
-
-
P. Hohenberg and W. Kohn, Phys. Rev. B 136, 864 (1964); W. Kohn and L. J. Sham, Phys. Rev. A 140, 1133 (1965); J. C. Slater, Quantum Theory of Molecular and Solids, Vol. 4: The Self-consistent Field for Molecular and Solids (McGraw-Hill, New York, 1974).
-
(1964)
Phys. Rev. B
, vol.136
, pp. 864
-
-
Hohenberg, P.1
Kohn, W.2
-
21
-
-
0042113153
-
-
P. Hohenberg and W. Kohn, Phys. Rev. B 136, 864 (1964); W. Kohn and L. J. Sham, Phys. Rev. A 140, 1133 (1965); J. C. Slater, Quantum Theory of Molecular and Solids, Vol. 4: The Self-consistent Field for Molecular and Solids (McGraw-Hill, New York, 1974).
-
(1965)
Phys. Rev. A
, vol.140
, pp. 1133
-
-
Kohn, W.1
Sham, L.J.2
-
22
-
-
10644250257
-
-
McGraw-Hill, New York
-
P. Hohenberg and W. Kohn, Phys. Rev. B 136, 864 (1964); W. Kohn and L. J. Sham, Phys. Rev. A 140, 1133 (1965); J. C. Slater, Quantum Theory of Molecular and Solids, Vol. 4: The Self-consistent Field for Molecular and Solids (McGraw-Hill, New York, 1974).
-
(1974)
Quantum Theory of Molecular and Solids, Vol. 4: The Self-consistent Field for Molecular and Solids
, vol.4
-
-
Slater, J.C.1
-
25
-
-
0345491105
-
-
C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988); B. Miehlich, A. Savin, H. Stoll, and H. Preuss, Chem. Phys. Lett. 157, 200 (1989).
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
26
-
-
0038596731
-
-
C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988); B. Miehlich, A. Savin, H. Stoll, and H. Preuss, Chem. Phys. Lett. 157, 200 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 200
-
-
Miehlich, B.1
Savin, A.2
Stoll, H.3
Preuss, H.4
-
30
-
-
0003568278
-
-
H. F. Schaefer III, Ed. Plenum, New York
-
T. H. Dunning, Jr. and P. J. Hay, in Modern Theoretical Chemistry, H. F. Schaefer III, Ed. (Plenum, New York, 1976).
-
(1976)
Modern Theoretical Chemistry
-
-
Dunning Jr., T.H.1
Hay, P.J.2
-
31
-
-
33745770836
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 270 (1985); W. R. Wadt and P. J. Hay, J. Chem. Phys. 82, 284 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 299 (1985).
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 270
-
-
Hay, P.J.1
Wadt, W.R.2
-
32
-
-
0006073669
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 270 (1985); W. R. Wadt and P. J. Hay, J. Chem. Phys. 82, 284 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 299 (1985).
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 284
-
-
Wadt, W.R.1
Hay, P.J.2
-
33
-
-
27344448074
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 270 (1985); W. R. Wadt and P. J. Hay, J. Chem. Phys. 82, 284 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 299 (1985).
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 299
-
-
Hay, P.J.1
Wadt, W.R.2
-
34
-
-
84986468715
-
-
T. Clark, J. Chandrasekhar, G. W. Spitznagle, and P. v. R. Schleyer, J. Comp. Chem. 4, 294 (1983); M. J. Frisch, J. A. Pople, and J. S. Binkley, J. Chem. Phys. 80, 3265 (1984).
-
(1983)
J. Comp. Chem.
, vol.4
, pp. 294
-
-
Clark, T.1
Chandrasekhar, J.2
Spitznagle, G.W.3
Schleyer, P.V.R.4
-
35
-
-
36549091139
-
-
T. Clark, J. Chandrasekhar, G. W. Spitznagle, and P. v. R. Schleyer, J. Comp. Chem. 4, 294 (1983); M. J. Frisch, J. A. Pople, and J. S. Binkley, J. Chem. Phys. 80, 3265 (1984).
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 3265
-
-
Frisch, M.J.1
Pople, J.A.2
Binkley, J.S.3
-
36
-
-
84870400826
-
-
Gaussian, Inc. Pittsburgh, PA
-
M. J. Frisch, Æ. Frisch, and J. B. Foresman, Gaussian 94 User's Reference (Gaussian, Inc. Pittsburgh, PA, 1995).
-
(1995)
Gaussian 94 User's Reference
-
-
Frisch, M.J.1
Frisch, Æ.2
Foresman, J.B.3
|