-
6
-
-
0003754095
-
-
in edited by P. Ziesche and H. Eschrig Akademie, Berlin
-
J. P. Perdew, in Electronic Structure of Solids' 91, edited by P. Ziesche and H. Eschrig (Akademie, Berlin, 1991).
-
(1991)
Electronic Structure of Solids' 91
-
-
Perdew, J.P.1
-
11
-
-
23244460838
-
-
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992);
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
15
-
-
0000109748
-
-
L. A. Curtiss, K. Raghavachari, P. C. Redfern, and J. A. Pople, J. Chem. Phys. 106, 1063 (1997).
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 1063
-
-
Curtiss, L.A.1
Raghavachari, K.2
Redfern, P.C.3
Pople, J.A.4
-
19
-
-
0003849474
-
-
in edited by J. M. Seminario Elsevier, Amsterdam The LDA and LSD system-averaged exchange holes shown in Refs. 16 and 17 were computed with the PW92 expression [Eq. (10)]. Note that the vertical scale of Fig. 10 of Ref. 16 is incorrect by a factor of 2 π; it should be the same as that of Fig. 5 of the present work
-
M. Ernzerhof, K. Burke, and J. P. Perdew, in Recent Developments and Applications of Modern Density Functional Theory, Theoretical and Computational Chemistry, edited by J. M. Seminario (Elsevier, Amsterdam, 1997). The LDA and LSD system-averaged exchange holes shown in Refs. 16 and 17 were computed with the PW92 expression [Eq. (10)]. Note that the vertical scale of Fig. 10 of Ref. 16 is incorrect by a factor of 2 π; it should be the same as that of Fig. 5 of the present work.
-
(1997)
Recent Developments and Applications of Modern Density Functional Theory, Theoretical and Computational Chemistry
-
-
Ernzerhof, M.1
Burke, K.2
Perdew, J.P.3
-
20
-
-
0003899196
-
-
in "Density functional theory I," of edited by R. Nalewajski Springer, Berlin
-
M. Ernzerhof, J. P. Perdew, and K. Burke, in "Density functional theory I," Vol. 180 of Topics in Current Chemistry, edited by R. Nalewajski (Springer, Berlin, 1996).
-
(1996)
Topics in Current Chemistry
, vol.180
-
-
Ernzerhof, M.1
Perdew, J.P.2
Burke, K.3
-
22
-
-
7044228131
-
-
R. Q. Hood, A. J. Williamson, G. Rajagopal, R. J. Needs, and W. M. C. Foulkes, Phys. Rev. Lett. 78, 3350 (1997);
-
(1997)
Phys. Rev. Lett.
, vol.78
, pp. 3350
-
-
Hood, R.Q.1
Williamson, A.J.2
Rajagopal, G.3
Needs, R.J.4
Foulkes, W.M.C.5
-
23
-
-
0001210381
-
-
R. Q. Hood, M. Y. Chou, A. J. Williamson, G. Rajagopal, and R. J. Needs, Phys. Rev. B 57, 8972 (1998).
-
(1998)
Phys. Rev. B
, vol.57
, pp. 8972
-
-
Hood, R.Q.1
Chou, M.Y.2
Williamson, A.J.3
Rajagopal, G.4
Needs, R.J.5
-
32
-
-
0003464004
-
-
in "Density functionals: Theory and applications," of edited by D. P. Joubert Springer, Berlin
-
M. Ernzerhof, in "Density functionals: Theory and applications," Vol. 500 of Lecture Notes in Physics, edited by D. P. Joubert (Springer, Berlin, 1998).
-
(1998)
Lecture Notes in Physics
, vol.500
-
-
Ernzerhof, M.1
-
45
-
-
0000793345
-
-
J. P. Perdew, M. Ernzerhof, A. Zupan, and K. Burke, J. Chem. Phys. 108, 1522 (1998).
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 1522
-
-
Perdew, J.P.1
Ernzerhof, M.2
Zupan, A.3
Burke, K.4
-
46
-
-
0000425140
-
-
A. Zupan, K. Burke, M. Ernzerhof, and J. P. Perdew, J. Chem. Phys. 106, 10184 (1997).
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 10184
-
-
Zupan, A.1
Burke, K.2
Ernzerhof, M.3
Perdew, J.P.4
-
49
-
-
3843139519
-
-
R. Shepard, I. Shavitt, R. M. Pitzer, D. C. Comeau, M. Pepper, H. Lischka, P. G. Szalay, R. Ahlrichs, F. B. Brown, and J.-G. Zhoa, Int. J. Quantum Chem. 142, 22 (1988).
-
(1988)
Int. J. Quantum Chem.
, vol.142
, pp. 22
-
-
Shepard, R.1
Shavitt, I.2
Pitzer, R.M.3
Comeau, D.C.4
Pepper, M.5
Lischka, H.6
Szalay, P.G.7
Ahlrichs, R.8
Brown, F.B.9
Zhoa, J.-G.10
-
50
-
-
77954443001
-
-
R. Shepard, H. Lischka, P. G. Szalay, T. Kovar, and M. Ernzerhof, J. Chem. Phys. 96, 2085 (1992).
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 2085
-
-
Shepard, R.1
Lischka, H.2
Szalay, P.G.3
Kovar, T.4
Ernzerhof, M.5
-
51
-
-
2942542478
-
-
D. J. DeFrees, B. A. Levi, S. K. Pollack, W. J. Hehre, J. S. Binkley, and J. A. Pople, J. Am. Chem. Soc. 101, 4085 (1979).
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 4085
-
-
Defrees, D.J.1
Levi, B.A.2
Pollack, S.K.3
Hehre, W.J.4
Binkley, J.S.5
Pople, J.A.6
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