-
1
-
-
0003838470
-
-
edited by V.E. Van Doren, K. Van Alseoy, and P. Geerlings American Institute of Physics
-
Perdew, J.P.; Schmidt, K.; in: Density Functional Theory and Its Applications to Materials, edited by V.E. Van Doren, K. Van Alseoy, and P. Geerlings (American Institute of Physics, 2001). See also http://www-chimie.ujf-grenoble.fr/PERSONNEL/LEDSS7/casida/CompChem/DFT.html
-
(2001)
Density Functional Theory and Its Applications to Materials
-
-
Perdew, J.P.1
Schmidt, K.2
-
2
-
-
0042361828
-
-
http://www.nobel.se/chemistry/laureates/1998/press.html.
-
-
-
-
6
-
-
0001157659
-
-
edited by D.P. Chong World Scientific, Singapore
-
Casida, M.E.; in Recent Advances in Density Functional Methods, Part I, edited by D.P. Chong (World Scientific, Singapore, 1995), p. 155.
-
(1995)
Recent Advances in Density Functional Methods, Part I
, pp. 155
-
-
Casida, M.E.1
-
9
-
-
0032572120
-
-
Bauernschmitt, R.; Ahlrichs, R.; Hennrich, F.H.; Kappes, M.M.; J. Am. Chem. Soc. 1998, 120, 5052.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 5052
-
-
Bauernschmitt, R.1
Ahlrichs, R.2
Hennrich, F.H.3
Kappes, M.M.4
-
10
-
-
0038527530
-
-
Champagne, B.; Perpète, E.A.; van Gisbergen, S.J.A; Baerends, E.J.; Snijders, J.G.; Soubra-Ghaoui, C.; Robins, K.A.; Kirtman, B.; J. Chem. Phys. 1998 109, 10489.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 10489
-
-
Champagne, B.1
Perpète, 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
-
11
-
-
3343023108
-
-
van Gisbergen, S.J.A.; Schipper, P.R.T.; Gritsenko, O.V.; Baerends, E.J.; Snijders, J.G.; Champagne, B.; Kirtman, B.; Phys. Rev. Lett. 1999, 83, 694.
-
(1999)
Phys. Rev. Lett.
, vol.83
, pp. 694
-
-
Van Gisbergen, S.J.A.1
Schipper, P.R.T.2
Gritsenko, O.V.3
Baerends, E.J.4
Snijders, J.G.5
Champagne, B.6
Kirtman, B.7
-
14
-
-
0001353936
-
-
van Gisbergen, S.J.A.; Groeneveld, J.A.; Rosa, A.; Snijders, J.G.; Baerends, E.J.; J. Phys. Chem. 1999, 103, 6835.
-
(1999)
J. Phys. Chem.
, vol.103
, pp. 6835
-
-
Van Gisbergen, S.J.A.1
Groeneveld, J.A.2
Rosa, A.3
Snijders, J.G.4
Baerends, E.J.5
-
15
-
-
0035249018
-
-
Boulet, P.; Chermette H.; Daul C.; Gilardoni, F.; Rogemond, F.; Weber, J.; Zuber, G.; J. Phys. Chem. A 2001, 105, 885.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 885
-
-
Boulet, P.1
Chermette, H.2
Daul, C.3
Gilardoni, F.4
Rogemond, F.5
Weber, J.6
Zuber, G.7
-
16
-
-
0032621438
-
-
Nguyen, K.A.; Day, P.N.; Pachter, R.; J. Chem. Phys. 1999, 110, 9135.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 9135
-
-
Nguyen, K.A.1
Day, P.N.2
Pachter, R.3
-
17
-
-
0033946929
-
-
Lhiouhet, V.; Gutierrez, F.; Penaud, F.; Amouyal, E.; Daudey, J.-P.; Poteau, R.; Chouini-Lalanne, N.; Paillous, N.; New Journal of Chemistry 2000 24, 403.
-
(2000)
New Journal of Chemistry
, vol.24
, pp. 403
-
-
Lhiouhet, V.1
Gutierrez, F.2
Penaud, F.3
Amouyal, E.4
Daudey, J.-P.5
Poteau, R.6
Chouini-Lalanne, N.7
Paillous, N.8
-
22
-
-
0034319444
-
-
Casida, M.E.; Gutierrez, G.; Guan, J.; Gadea, F.-X.; Salahub, D.R.; Daudey, J.-P.; J. Chem. Phys. 2000, 113, 7062.
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 7062
-
-
Casida, M.E.1
Gutierrez, G.2
Guan, J.3
Gadea, F.-X.4
Salahub, D.R.5
Daudey, J.-P.6
-
23
-
-
0034321439
-
-
Gritsenko, O.V.; van Gisbergen, S.J.A.; Görling, A.; Baerends, E.J.; J. Chem. Phys. 2000, 113, 8478.
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 8478
-
-
Gritsenko, O.V.1
Van Gisbergen, S.J.A.2
Görling, A.3
Baerends, E.J.4
-
26
-
-
0000074308
-
-
Frank, I.; Hutter, J.; Marx, D.; Parrinello, M.; J. Chem. Phys. 1998, 108, 4060.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 4060
-
-
Frank, I.1
Hutter, J.2
Marx, D.3
Parrinello, M.4
-
28
-
-
24844447898
-
-
unpublished
-
Röhrig, U.; Laio, A.; VandeVondele, J.; Hullo, J; Röthlisberger, U; unpublished.
-
-
-
Röhrig, U.1
Laio, A.2
VandeVondele, J.3
Hullo, J.4
Röthlisberger, U.5
-
29
-
-
0001750357
-
-
edited by E. Keinan and I. Schechter Wiley-VCH, Weinheim
-
Bartlett R.J.; in Chemistry for the 21st Century, edited by E. Keinan and I. Schechter (Wiley-VCH, Weinheim, 2000), p. 271.
-
(2000)
Chemistry for the 21st Century
, pp. 271
-
-
Bartlett, R.J.1
-
31
-
-
0001652762
-
-
Hamprecht, F.A.; Cohen, A.J.; Tozer, D.J.; Handy, N.C.; J. Chem. Phys. 1998 109, 6264.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 6264
-
-
Hamprecht, F.A.1
Cohen, A.J.2
Tozer, D.J.3
Handy, N.C.4
-
35
-
-
0001518180
-
-
Tozer, D.J.; Amos, R.D.; Handy, N.C.; Roos, B.O.; Serrano-Andrés, L.; Mol. Phys. 1999 97, 859.
-
(1999)
Mol. Phys.
, vol.97
, pp. 859
-
-
Tozer, D.J.1
Amos, R.D.2
Handy, N.C.3
Roos, B.O.4
Serrano-Andrés, L.5
-
37
-
-
0037842487
-
-
Grüning, M.; Gritsenko, O.V.; van Gisbergen, S.J.A.; Baerends, E.J.; J. Chem. Phys. 2001, 114, 652.
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 652
-
-
Grüning, M.1
Gritsenko, O.V.2
Van Gisbergen, S.J.A.3
Baerends, E.J.4
-
38
-
-
0041860941
-
-
Ziegler, T; Rauk, A.; Baerends, E.J.; Theor. Chim. Acta 1977, 43, 877.
-
(1977)
Theor. Chim. Acta
, vol.43
, pp. 877
-
-
Ziegler, T.1
Rauk, A.2
Baerends, E.J.3
-
41
-
-
3342981672
-
-
Chakravarty, S.; Fogel, M.B.; Kohn, W.; Phys. Rev. Lett. 1979, 43, 775.
-
(1979)
Phys. Rev. Lett.
, vol.43
, pp. 775
-
-
Chakravarty, S.1
Fogel, M.B.2
Kohn, W.3
-
50
-
-
0002627876
-
-
edited by E.K.U. Gross and R.M. Dreizler, NATO ASI Series Plenum, New York
-
Gross, E.K.U.; Ullrich, C.A.; Gossmann, U.J.; in Density Functional Theory, edited by E.K.U. Gross and R.M. Dreizler, NATO ASI Series (Plenum, New York, 1994), p. 149.
-
(1994)
Density Functional Theory
, pp. 149
-
-
Gross, E.K.U.1
Ullrich, C.A.2
Gossmann, U.J.3
-
51
-
-
0003628235
-
-
edited by R.F. Nalewajski Springer, Berlin
-
Gross, E.K.U.; Dobson, J.F.; Petersilka, M.; in Density Functional Theory II, Vol. 181 of Topics in Current Chemistry, edited by R.F. Nalewajski (Springer, Berlin, 1996), p. 149.
-
(1996)
Density Functional Theory II, Vol. 181 of Topics in Current Chemistry
, vol.181
, pp. 149
-
-
Gross, E.K.U.1
Dobson, J.F.2
Petersilka, M.3
-
54
-
-
0000287603
-
-
Casida, M.E.; Jamorski, C.; Casida, K.C.; Salahub, D.R.; J. Chem. Phys. 1998 108, 4439.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 4439
-
-
Casida, M.E.1
Jamorski, C.2
Casida, K.C.3
Salahub, D.R.4
-
58
-
-
0035933987
-
-
Hirata, S.; Ivanov, S.; Grabowski, I.; Bartlett, R.J.; Burke, K.; Talman, J.D.; J. Chem. Phys. 2001, 115, 1635.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 1635
-
-
Hirata, S.1
Ivanov, S.2
Grabowski, I.3
Bartlett, R.J.4
Burke, K.5
Talman, J.D.6
-
60
-
-
0035424603
-
-
de Boeij, P.L.; Kootstra, F.; Berger, J.A.; van Leeuwen, R.; Snijders, J.G.; J. Chem. Phys. 2001, 115, 1995.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 1995
-
-
De Boeij, P.L.1
Kootstra, F.2
Berger, J.A.3
Van Leeuwen, R.4
Snijders, J.G.5
-
65
-
-
4143086686
-
-
Vignale, G.; Ullrich, C.A.; Conti, S.; Phys. Rev. Lett. 1997, 79, 4878.
-
(1997)
Phys. Rev. Lett.
, vol.79
, pp. 4878
-
-
Vignale, G.1
Ullrich, C.A.2
Conti, S.3
-
66
-
-
0001455658
-
-
Dobson, J.F.; Bünner, M.J.; Gross, E.K.U.; Phys. Rev. Lett. 1997, 79, 1905.
-
(1997)
Phys. Rev. Lett.
, vol.79
, pp. 1905
-
-
Dobson, J.F.1
Bünner, M.J.2
Gross, E.K.U.3
-
67
-
-
16644397559
-
-
Nifosì, R.; Conti, S.; Tosi, P.; Phys. Rev. B, 1998, 58, 12758.
-
(1998)
Phys. Rev. B
, vol.58
, pp. 12758
-
-
Nifosì, R.1
Conti, S.2
Tosi, P.3
-
70
-
-
0003759441
-
-
edited by P. Fantucci and A. Bencini World Scientific Press
-
Burke, K.; Petersilka, M.; and Gross, E.K.U.; in Recent Advances in Density Functional Methods, Vol III, edited by P. Fantucci and A. Bencini (World Scientific Press, 2000).
-
(2000)
Recent Advances in Density Functional Methods, Vol III
, vol.3
-
-
Burke, K.1
Petersilka, M.2
Gross, E.K.U.3
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