-
3
-
-
33751157732
-
-
Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98, 11623-11627
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623-11627
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
5
-
-
0007264067
-
On degeneracy, near-degeneracy and density functional theory
-
Seminario, J. M. Elsevier: Amsterdam
-
Savin, A. On degeneracy, near-degeneracy and density functional theory. In Recent Developments and Applications of Modern Density Functional Theory; Seminario, J. M., Ed.; Elsevier: Amsterdam, 1995; pp 327-357.
-
(1995)
Recent Developments and Applications of Modern Density Functional Theory
, pp. 327-357
-
-
Savin, A.1
-
7
-
-
0031590109
-
-
Leininger, T.; Stoll, H.; Werner, H.-J.; Savin, A. Chem. Phys. Lett. 1997, 275, 151-160
-
(1997)
Chem. Phys. Lett.
, vol.275
, pp. 151-160
-
-
Leininger, T.1
Stoll, H.2
Werner, H.-J.3
Savin, A.4
-
8
-
-
0035934184
-
-
Iikura, H.; Tsuneda, T.; Tanai, T.; Hirao, K. J. Chem. Phys. 2001, 115, 3540-3544
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 3540-3544
-
-
Iikura, H.1
Tsuneda, T.2
Tanai, T.3
Hirao, K.4
-
9
-
-
2542450086
-
-
Tawada, Y.; Tsuneda, T.; Yanagisawa, S.; Yanai, T.; Hirao, K. J. Chem. Phys. 2004, 120, 8425-8433
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 8425-8433
-
-
Tawada, Y.1
Tsuneda, T.2
Yanagisawa, S.3
Yanai, T.4
Hirao, K.5
-
10
-
-
39349084143
-
-
Song, J.-W.; Tokura, S.; Sato, T.; Watson, M. A.; Hirao, K. J. Chem. Phys. 2007, 127, 154109
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 154109
-
-
Song, J.-W.1
Tokura, S.2
Sato, T.3
Watson, M.A.4
Hirao, K.5
-
11
-
-
70350461553
-
-
Song, J.-W.; Watson, M. A.; Hirao, K. J. Chem. Phys. 2009, 131, 144108
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 144108
-
-
Song, J.-W.1
Watson, M.A.2
Hirao, K.3
-
12
-
-
0037799714
-
-
Heyd, J.; Scuseria, G. E.; Ernzerhof, M. J. Chem. Phys. 2003, 118, 8207-8215
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 8207-8215
-
-
Heyd, J.1
Scuseria, G.E.2
Ernzerhof, M.3
-
15
-
-
58149240085
-
-
Henderson, T. M.; Janesko, B. G.; Scuseria, G. E. J. Phys. Chem. A 2008, 112, 12530-12542
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 12530-12542
-
-
Henderson, T.M.1
Janesko, B.G.2
Scuseria, G.E.3
-
16
-
-
3142771297
-
-
Yanai, T.; Tew, D. P.; Handy, N. C. Chem. Phys. Lett. 2004, 393, 51-57
-
(2004)
Chem. Phys. Lett.
, vol.393
, pp. 51-57
-
-
Yanai, T.1
Tew, D.P.2
Handy, N.C.3
-
22
-
-
37149001842
-
-
Henderson, T. M.; Izmaylov, A. F.; Scuseria, G. E.; Savin, A. J. Chem. Phys. 2007, 127, 221103
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 221103
-
-
Henderson, T.M.1
Izmaylov, A.F.2
Scuseria, G.E.3
Savin, A.4
-
23
-
-
34247355539
-
-
Song, J.-W.; Hirowasa, T.; Tsuneda, T.; Hirao, K. J. Chem. Phys. 2007, 126, 154105
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 154105
-
-
Song, J.-W.1
Hirowasa, T.2
Tsuneda, T.3
Hirao, K.4
-
24
-
-
79951471681
-
-
Caricato, M.; Trucks, G. W.; Frisch, M. J.; Wiberg, K. B. J. Chem. Theory Comput. 2011, 7, 456-466
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 456-466
-
-
Caricato, M.1
Trucks, G.W.2
Frisch, M.J.3
Wiberg, K.B.4
-
25
-
-
33749655606
-
-
Peach, M. J.; Cohen, A. J.; Tozer, D. J. Phys. Chem. Chem. Phys. 2006, 8, 4543-4549
-
(2006)
Phys. Chem. Chem. Phys.
, vol.8
, pp. 4543-4549
-
-
Peach, M.J.1
Cohen, A.J.2
Tozer, D.J.3
-
26
-
-
47849095505
-
-
Lange, A. W.; Rohrdanz, M. A.; Herbert, J. M. J. Phys. Chem. B 2008, 112, 6304-6308
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 6304-6308
-
-
Lange, A.W.1
Rohrdanz, M.A.2
Herbert, J.M.3
-
28
-
-
80052070224
-
-
Nguyen, K. A.; Day, P. N.; Pachter, R. J. Chem. Phys. 2011, 135, 074109
-
(2011)
J. Chem. Phys.
, vol.135
, pp. 074109
-
-
Nguyen, K.A.1
Day, P.N.2
Pachter, R.3
-
29
-
-
0037154354
-
-
Pollet, R.; Savin, A.; Leininger, T.; Stoll, H. J. Chem. Phys. 2002, 116, 1250-1258
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 1250-1258
-
-
Pollet, R.1
Savin, A.2
Leininger, T.3
Stoll, H.4
-
30
-
-
22944466712
-
-
Toulouse, J.; Colonna, F.; Savin, A. J. Chem. Phys. 2005, 122, 014110
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 014110
-
-
Toulouse, J.1
Colonna, F.2
Savin, A.3
-
31
-
-
33749528503
-
-
Baer, R.; Livshits, E.; Neuhauser, D. Chem. Phys. 2006, 329, 266-275
-
(2006)
Chem. Phys.
, vol.329
, pp. 266-275
-
-
Baer, R.1
Livshits, E.2
Neuhauser, D.3
-
33
-
-
52949121365
-
-
Krukau, A. V.; Scuseria, G. E.; Perdew, J. P.; Savin, A. J. Chem. Phys. 2008, 129, 124103
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 124103
-
-
Krukau, A.V.1
Scuseria, G.E.2
Perdew, J.P.3
Savin, A.4
-
34
-
-
67649819590
-
-
Henderson, T. M.; Janesko, B. G.; Scuseria, G. E.; Savin, A. Int. J. Quantum Chem. 2009, 109, 2023-2032
-
(2009)
Int. J. Quantum Chem.
, vol.109
, pp. 2023-2032
-
-
Henderson, T.M.1
Janesko, B.G.2
Scuseria, G.E.3
Savin, A.4
-
37
-
-
18044378038
-
-
Robinson, J. E.; Bassani, F.; Knox, R. S.; Schrieffer, J. R. Phys. Rev. Lett. 1962, 9, 215-217
-
(1962)
Phys. Rev. Lett.
, vol.9
, pp. 215-217
-
-
Robinson, J.E.1
Bassani, F.2
Knox, R.S.3
Schrieffer, J.R.4
-
39
-
-
44349094803
-
-
Henderson, T. M.; Janesko, B. G.; Scuseria, G. E. J. Chem. Phys. 2008, 128, 194105
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 194105
-
-
Henderson, T.M.1
Janesko, B.G.2
Scuseria, G.E.3
-
40
-
-
59949101798
-
-
Rohrdanz, M. A.; Martins, K. M.; Herbert, J. M. J. Chem. Phys. 2009, 130, 054112
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 054112
-
-
Rohrdanz, M.A.1
Martins, K.M.2
Herbert, J.M.3
-
41
-
-
0142020914
-
-
Watson, M. A.; Handy, N. C.; Cohen, A. J. J. Chem. Phys. 2003, 119, 6475-6481
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 6475-6481
-
-
Watson, M.A.1
Handy, N.C.2
Cohen, A.J.3
-
42
-
-
67649743731
-
-
Krykunov, M.; Ziegler, T.; Van Lenthe, E. Int. J. Quantum Chem. 2009, 109, 1676-1683
-
(2009)
Int. J. Quantum Chem.
, vol.109
, pp. 1676-1683
-
-
Krykunov, M.1
Ziegler, T.2
Van Lenthe, E.3
-
43
-
-
70350413497
-
-
Krykunov, M.; Ziegler, T.; Van Lenthe, E. J. Phys. Chem. 2009, 113, 11495-11500
-
(2009)
J. Phys. Chem.
, vol.113
, pp. 11495-11500
-
-
Krykunov, M.1
Ziegler, T.2
Van Lenthe, E.3
-
45
-
-
0001667710
-
-
Barnett, M. P.; Coulson, C. A. Phil. Trans. R. Soc. London, Ser. A 1951, 243, 221-249
-
(1951)
Phil. Trans. R. Soc. London, Ser. A
, vol.243
, pp. 221-249
-
-
Barnett, M.P.1
Coulson, C.A.2
-
46
-
-
0002418053
-
The Evaluation of Molecular Integrals by the Zeta-Function Expansion
-
Alder, B. Fernbach, S. Rotenberg, M. Academic Press: New York
-
Barnett, M. P. The Evaluation of Molecular Integrals by the Zeta-Function Expansion. In Methods of Computational Physics; Alder, B.; Fernbach, S.; Rotenberg, M., Eds.; Academic Press: New York, 1963; Vol. 2, pp 95-153.
-
(1963)
Methods of Computational Physics
, vol.2
, pp. 95-153
-
-
Barnett, M.P.1
-
49
-
-
0000258896
-
-
Wahl, A. C.; Cade, P. E.; Roothan, C. C. J. J. Chem. Phys. 1964, 41, 2578-2599
-
(1964)
J. Chem. Phys.
, vol.41
, pp. 2578-2599
-
-
Wahl, A.C.1
Cade, P.E.2
Roothan, C.C.J.3
-
50
-
-
0038001833
-
-
Fernández Rico, J.; Fernández, J. J.; Ema, I.; López, R.; Ramírez, G. Int. J. Quantum Chem. 2000, 78, 83-93
-
(2000)
Int. J. Quantum Chem.
, vol.78
, pp. 83-93
-
-
Fernández Rico, J.1
Fernández, J.J.2
Ema, I.3
López, R.4
Ramírez, G.5
-
51
-
-
0037879616
-
-
Fernández Rico, J.; Fernández, J. J.; López, R.; Ramírez, G. Int. J. Quantum Chem. 2000, 78, 137-145
-
(2000)
Int. J. Quantum Chem.
, vol.78
, pp. 137-145
-
-
Fernández Rico, J.1
Fernández, J.J.2
López, R.3
Ramírez, G.4
-
52
-
-
9244240752
-
-
Fernández Rico, J.; Ema, I.; Ramírez, G. J. Comput. Chem. 2004, 25, 1987-1994
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1987-1994
-
-
Fernández Rico, J.1
Ema, I.2
Ramírez, G.3
-
55
-
-
70350039205
-
Bessel functions of fractional order
-
Abramowitz, M. Stegun, I. A. U.S. National Bureau of Standards: Washington, DC
-
Antoziewicz, H. A. Bessel functions of fractional order. In Handbook of Mathematical Functions; Abramowitz, M.; Stegun, I. A., Eds.; U.S. National Bureau of Standards: Washington, DC, 1964; Vol. 55, pp 435-478.
-
(1964)
Handbook of Mathematical Functions
, vol.55
, pp. 435-478
-
-
Antoziewicz, H.A.1
-
56
-
-
0006573347
-
Gamma Functions and Related Functions
-
Abramowitz, M. Stegun, I. A. U.S. National Bureau of Standards: Washington, DC
-
Davis, P. J. Gamma Functions and Related Functions. In Handbook of Mathematical Functions; Abramowitz, M.; Stegun, I. A., Eds.; U.S. National Bureau of Standards: Washington, DC, 1964; Vol. 55, pp 253-293.
-
(1964)
Handbook of Mathematical Functions
, vol.55
, pp. 253-293
-
-
Davis, P.J.1
-
59
-
-
84855655473
-
-
SCM, Theoretical Chemistry, Vrije Universiteit: Amsterdam, The Netherlands
-
Baerends, E. J. ADF2010; SCM, Theoretical Chemistry, Vrije Universiteit: Amsterdam, The Netherlands, 2010.
-
(2010)
ADF2010
-
-
Baerends, E.J.1
-
60
-
-
20644438873
-
-
te Velde, G.; Bickelhaupt, F. M.; Baerends, E. J.; Fonseca Guerra, C.; van Gisbergen, S. J. A.; Snijders, J. G.; Ziegler, T. J. Comput. Chem. 2001, 22, 931-967
-
(2001)
J. Comput. Chem.
, vol.22
, pp. 931-967
-
-
Te Velde, G.1
Bickelhaupt, F.M.2
Baerends, E.J.3
Fonseca Guerra, C.4
Van Gisbergen, S.J.A.5
Snijders, J.G.6
Ziegler, T.7
-
61
-
-
0038023343
-
-
Baerends, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 41-51
-
(1973)
Chem. Phys.
, vol.2
, pp. 41-51
-
-
Baerends, E.J.1
Ellis, D.E.2
Ros, P.3
-
64
-
-
0032221816
-
-
Fonseca Guerra, C.; Snijders, J. G.; te Velde, G.; Baerends, E. J. Theor. Chim. Acta 1998, 99, 391-403
-
(1998)
Theor. Chim. Acta
, vol.99
, pp. 391-403
-
-
Fonseca Guerra, C.1
Snijders, J.G.2
Te Velde, G.3
Baerends, E.J.4
-
65
-
-
78650624805
-
-
Ekström, U.; Visscher, L.; Bast, R.; Torvaldsen, A. J.; Ruud, K. J. Chem. Theory Comput. 2010, 6, 1971-1980
-
(2010)
J. Chem. Theory Comput.
, vol.6
, pp. 1971-1980
-
-
Ekström, U.1
Visscher, L.2
Bast, R.3
Torvaldsen, A.J.4
Ruud, K.5
-
68
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785-789
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
69
-
-
4243943295
-
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865-3868
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
72
-
-
0347319419
-
-
Staroverov, V. N.; Scuseria, G. E.; Tao, J.; Perdew, J. P. J. Chem. Phys. 2003, 119, 12129
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 12129
-
-
Staroverov, V.N.1
Scuseria, G.E.2
Tao, J.3
Perdew, J.P.4
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