-
3
-
-
33646627133
-
-
note
-
A correction procedure for such functionals has been proposed in Ref. 17 that takes care of the functional deficiency at surfaces. Similar, cruder procedures have successfully been applied to vacancy formation energies (Ref. 4) and work of adhesion (Ref. 5).
-
-
-
-
4
-
-
0034295223
-
-
K. Carling, G. Wahnström, T. R. Mattsson, A. E. Mattsson, N. Sandberg, and G. Grimvall, Phys. Rev. Lett. 85, 3862 (2000); T. K. Mattsson and A. E. Mattsson (unpublished).
-
(2000)
Phys. Rev. Lett.
, vol.85
, pp. 3862
-
-
Carling, K.1
Wahnström, G.2
Mattsson, T.R.3
Mattsson, A.E.4
Sandberg, N.5
Grimvall, G.6
-
5
-
-
0034295223
-
-
unpublished
-
K. Carling, G. Wahnström, T. R. Mattsson, A. E. Mattsson, N. Sandberg, and G. Grimvall, Phys. Rev. Lett. 85, 3862 (2000); T. K. Mattsson and A. E. Mattsson (unpublished).
-
-
-
Mattsson, T.K.1
Mattsson, A.E.2
-
8
-
-
0034667118
-
-
L. Vitos, B. Johansson, J. Kollár, and H. L. Skriver, Phys. Rev. B 62, 10 046 (2000).
-
(2000)
Phys. Rev. B
, vol.62
, pp. 10046
-
-
Vitos, L.1
Johansson, B.2
Kollár, J.3
Skriver, H.L.4
-
9
-
-
19844383203
-
-
AIP Conf. Proc. No. 577, edited by V. Van Doren, C. Van Alsenoy, and P. Geerlings et al. (AIP, Melville, NY)
-
J. P. Perdew and K. Schmidt, in Density Functional Theory and Its Applications to Materials, AIP Conf. Proc. No. 577, edited by V. Van Doren, C. Van Alsenoy, and P. Geerlings et al. (AIP, Melville, NY, 2001).
-
(2001)
Density Functional Theory and Its Applications to Materials
-
-
Perdew, J.P.1
Schmidt, K.2
-
12
-
-
0001293880
-
-
J. Harris and R. O. Jones, J. Phys. F: Met. Phys. 4, 1170 (1974); D. C. Langreth and J. P. Perdew, Solid State Commun. 17, 1425 (1975); O. Gunnarsson and B. I. Lundquist, Phys. Rev. B 13, 4274 (1976).
-
(1974)
J. Phys. F: Met. Phys.
, vol.4
, pp. 1170
-
-
Harris, J.1
Jones, R.O.2
-
13
-
-
0016650111
-
-
J. Harris and R. O. Jones, J. Phys. F: Met. Phys. 4, 1170 (1974); D. C. Langreth and J. P. Perdew, Solid State Commun. 17, 1425 (1975); O. Gunnarsson and B. I. Lundquist, Phys. Rev. B 13, 4274 (1976).
-
(1975)
Solid State Commun.
, vol.17
, pp. 1425
-
-
Langreth, D.C.1
Perdew, J.P.2
-
14
-
-
25544474582
-
-
J. Harris and R. O. Jones, J. Phys. F: Met. Phys. 4, 1170 (1974); D. C. Langreth and J. P. Perdew, Solid State Commun. 17, 1425 (1975); O. Gunnarsson and B. I. Lundquist, Phys. Rev. B 13, 4274 (1976).
-
(1976)
Phys. Rev. B
, vol.13
, pp. 4274
-
-
Gunnarsson, O.1
Lundquist, B.I.2
-
20
-
-
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
-
23
-
-
0000939263
-
-
V. Sahni, J. B. Krieger, and J. Gruenebaum, Phys. Rev. B 12, 3503 (1975); V. Sahni, J. B. Krieger, and J. Gruenebaum, ibid. 15, 1941 (1977); V. Sahni, C. Q. Ma, and J. S. Flamholz, ibid. 18, 3931 (1978).
-
(1975)
Phys. Rev. B
, vol.12
, pp. 3503
-
-
Sahni, V.1
Krieger, J.B.2
Gruenebaum, J.3
-
24
-
-
4243219340
-
-
V. Sahni, J. B. Krieger, and J. Gruenebaum, Phys. Rev. B 12, 3503 (1975); V. Sahni, J. B. Krieger, and J. Gruenebaum, ibid. 15, 1941 (1977); V. Sahni, C. Q. Ma, and J. S. Flamholz, ibid. 18, 3931 (1978).
-
(1977)
Phys. Rev. B
, vol.15
, pp. 1941
-
-
Sahni, V.1
Krieger, J.B.2
Gruenebaum, J.3
-
25
-
-
0000796375
-
-
V. Sahni, J. B. Krieger, and J. Gruenebaum, Phys. Rev. B 12, 3503 (1975); V. Sahni, J. B. Krieger, and J. Gruenebaum, ibid. 15, 1941 (1977); V. Sahni, C. Q. Ma, and J. S. Flamholz, ibid. 18, 3931 (1978).
-
(1978)
Phys. Rev. B
, vol.18
, pp. 3931
-
-
Sahni, V.1
Ma, C.Q.2
Flamholz, J.S.3
-
28
-
-
3343014210
-
-
J. P. Perdew, S. Kurth, A. Zupan, and P. Blaha, Phys. Rev. Lett. 82, 2544 (1999).
-
(1999)
Phys. Rev. Lett.
, vol.82
, pp. 2544
-
-
Perdew, J.P.1
Kurth, S.2
Zupan, A.3
Blaha, P.4
-
29
-
-
4244091849
-
-
M. Nekovee, W. M. C. Foulkes, and R. J. Needs, Phys. Rev. Lett. 87, 036401 (2001); M. Nekovee, W. M. C. Foulkes, A. J. Williamson, R. Rajagopal, and R. J. Needs, Adv. Quantum Chem. 31, 189 (1999).
-
(2001)
Phys. Rev. Lett.
, vol.87
, pp. 036401
-
-
Nekovee, M.1
Foulkes, W.M.C.2
Needs, R.J.3
-
30
-
-
4244091849
-
-
M. Nekovee, W. M. C. Foulkes, and R. J. Needs, Phys. Rev. Lett. 87, 036401 (2001); M. Nekovee, W. M. C. Foulkes, A. J. Williamson, R. Rajagopal, and R. J. Needs, Adv. Quantum Chem. 31, 189 (1999).
-
(1999)
Adv. Quantum Chem.
, vol.31
, pp. 189
-
-
Nekovee, M.1
Foulkes, W.M.C.2
Williamson, A.J.3
Rajagopal, R.4
Needs, R.J.5
-
36
-
-
33646658748
-
-
edited by J. A. Goldstein, Rosencrans S. I. and G. A. Sod (Academic Press, Boston)
-
J. P. Perdew and Y. Wang, Mathematics Applied to Science, edited by J. A. Goldstein, S. I. Rosencrans, and G. A. Sod (Academic Press, Boston, 1988), pp. 187-209; L. Kleinman, Phys. Rev. B 10, 2221 (1974).
-
(1988)
Mathematics Applied to Science
, pp. 187-209
-
-
Perdew, J.P.1
Wang, Y.2
-
37
-
-
0012072952
-
-
J. P. Perdew and Y. Wang, Mathematics Applied to Science, edited by J. A. Goldstein, S. I. Rosencrans, and G. A. Sod (Academic Press, Boston, 1988), pp. 187-209; L. Kleinman, Phys. Rev. B 10, 2221 (1974).
-
(1974)
Phys. Rev. B
, vol.10
, pp. 2221
-
-
Kleinman, L.1
-
39
-
-
0003892951
-
-
Wiley, New York
-
J. F. Hart, E. W. Cheney, C. L. Lawson, H. J. Maehly, C. K. Mesztenyi, J. R. Rice, H. G. Thacher, and C. Witzgall, Computer Approximations (Wiley, New York, 1968).
-
(1968)
Computer Approximations
-
-
Hart, J.F.1
Cheney, E.W.2
Lawson, C.L.3
Maehly, H.J.4
Mesztenyi, C.K.5
Rice, J.R.6
Thacher, H.G.7
Witzgall, C.8
-
40
-
-
0004161838
-
-
Cambridge University Press, Cambridge, England
-
W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes in C: The Art of Scientific Computing (Cambridge University Press, Cambridge, England, 1992).
-
(1992)
Numerical Recipes in C: The Art of Scientific Computing
-
-
Press, W.H.1
Teukolsky, S.A.2
Vetterling, W.T.3
Flannery, B.P.4
-
42
-
-
0003790433
-
-
Springer, Berlin
-
R. Piessens, E. De Doncker-Kapenga, C. W. Uberhuber, and D. K. Kahaner, QUADPACK, a Subroutine Package for Automatic Integration (Springer, Berlin, 1983).
-
(1983)
QUADPACK, a Subroutine Package for Automatic Integration
-
-
Piessens, R.1
De Doncker-Kapenga, E.2
Uberhuber, C.W.3
Kahaner, D.K.4
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