-
1
-
-
0042113153
-
-
Kohn, W. and Sham, L. J., Phys. Rev., 140, A1133, 1965.
-
(1965)
J., Phys. Rev.
, vol.140
-
-
Kohn, W.1
Sham, L.2
-
2
-
-
10644250257
-
-
Hohenberg, P. and Kohn, W., Phys. Rev. B, 136, B864, 1964.
-
(1964)
Phys. Rev. B
, vol.136
, pp. B864
-
-
Hohenberg, P.1
Kohn, W.2
-
5
-
-
15444370709
-
-
Fiolhais, C., Nogueira, F., and Marques, M. A. L., eds., Springer, Berlin
-
Perdew, J. P. and Kurth, S., in A Primer in Density Functional Theory, Fiolhais, C., Nogueira, F., and Marques, M. A. L., eds., Springer, Berlin, 2003, 1.
-
(2003)
A Primer in Density Functional Theory
, pp. 1
-
-
Perdew, J.P.1
Kurth, S.2
-
6
-
-
24144463778
-
-
Perdew, J. P., Ruzsinszky, A., Tao, J. M., Staroverov, V. N., Scuseria, G. E., and Csonka, G. I., J. Chem. Phys., 123, 062201, 2005.
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 062201
-
-
Perdew, J.P.1
Ruzsinszky, A.2
Tao, J.M.3
Staroverov, V.N.4
Scuseria, G.E.5
Csonka, G.I.6
-
7
-
-
33751339372
-
-
Dykstra, C., Frenking, G., Kim, K. S., and Scuseria, G. E., eds., Elsevier, Amsterdam
-
Scuseria, G. E. and Staroverov, V. N., in Theory and Applications of Computational Chemistry: The First Forty Years, Dykstra, C., Frenking, G., Kim, K. S., and Scuseria, G. E., eds., Elsevier, Amsterdam, 2005, 669.
-
(2005)
Theory and Applications of Computational Chemistry: The First Forty Years
, pp. 669
-
-
Scuseria, G.E.1
Staroverov, V.N.2
-
8
-
-
84862907865
-
-
Cohen, A. J., Mori-Sanchez, P., and Yang, W. T., Chem. Rev., 112, 289, 2012.
-
(2012)
Chem. Rev.
, vol.112
, pp. 289
-
-
Cohen, A.J.1
Mori-Sanchez, P.2
Yang, W.T.3
-
9
-
-
19844383203
-
-
Van Doren, V. E., Van Alsenoy, C., and Geerlings, P., eds., AIP, Melville, New York
-
Perdew, J. P. and Schmidt, K., in Density Functional Theory and Its Application to Materials, Van Doren, V. E., Van Alsenoy, C., and Geerlings, P., eds., AIP, Melville, New York, 2001, 1.
-
(2001)
Density Functional Theory and Its Application to Materials
, pp. 1
-
-
Perdew, J.P.1
Schmidt, K.2
-
10
-
-
80053920323
-
-
Dufty, J. W. and Trickey, S. B., Phys. Rev. B, 84, 125118, 2011.
-
(2011)
Phys. Rev. B
, vol.84
, pp. 125118
-
-
Dufty, J.W.1
Trickey, S.B.2
-
11
-
-
80052416363
-
-
Trickey, S. B., Karasiev, V. V., and Vela, A., Phys. Rev. B, 84, 075146, 2011.
-
(2011)
Phys. Rev. B
, vol.84
, pp. 075146
-
-
Trickey, S.B.1
Karasiev, V.V.2
Vela, A.3
-
12
-
-
4243943295
-
-
erratum, 78, 1396, 1997
-
Perdew, J. P., Burke, K., and Ernzerhof, M., Phys. Rev. Lett., 77, 3865, 1996, erratum, 78, 1396, 1997.
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
13
-
-
84983920937
-
-
Lieb, E. H. and Oxford, S., Int. J. Quantum Chem., 19, 427, 1981.
-
(1981)
Int. J. Quantum Chem.
, vol.19
, pp. 427
-
-
Lieb, E.H.1
Oxford, S.2
-
14
-
-
0000729632
-
-
erratum, 55, 13321, 1997
-
Levy, M. and Perdew, J. P., Phys. Rev. B, 48, 11638, 1993, erratum, 55, 13321, 1997.
-
(1993)
Phys. Rev. B
, vol.48
, pp. 11638
-
-
Levy, M.1
Perdew, J.P.2
-
15
-
-
0002348025
-
-
Ma, S. K. and Brueckner, K. A., Phys. Rev., 165, 18, 1968.
-
(1968)
Phys. Rev.
, vol.165
, pp. 18
-
-
Ma, S.K.1
Brueckner, K.A.2
-
17
-
-
85029400214
-
-
Zhang, Y. K. and Yang, W. T., Phys. Rev. Lett., 80, 890, 1998.
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 890
-
-
Zhang, Y.K.1
Yang, W.T.2
-
18
-
-
4644265529
-
-
Hammer, B., Hansen, L. B., and Norskov, J. K., Phys. Rev. B, 59, 7413, 1999.
-
(1999)
Phys. Rev. B
, vol.59
, pp. 7413
-
-
Hammer, B.1
Hansen, L.B.2
Norskov, J.K.3
-
19
-
-
41849095114
-
-
Perdew, J. P., Ruzsinszky, A., Csonka, G. I., Vydrov, O. A., Scuseria, G. E., Constantin, L. A., Zhou, X. L., and Burke, K., Phys. Rev. Lett., 100, 136406, 2008.
-
(2008)
Phys. Rev. Lett.
, vol.100
, pp. 136406
-
-
Perdew, J.P.1
Ruzsinszky, A.2
Csonka, G.I.3
Vydrov, O.A.4
Scuseria, G.E.5
Constantin, L.A.6
Zhou, X.L.7
Burke, K.8
-
20
-
-
43949098260
-
-
Zhao, Y. and Truhlar, D. G., J. Chem. Phys., 128, 184109, 2008.
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 184109
-
-
Zhao, Y.1
Truhlar, D.G.2
-
21
-
-
69949130736
-
-
Swart, M., Sola, M., and Bickelhaupt, F. M., J. Chem. Phys., 131, 094103, 2009.
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 094103
-
-
Swart, M.1
Sola, M.2
Bickelhaupt, F.M.3
-
23
-
-
77957555839
-
-
Fabiano, E., Constantin, L. A., and Della Sala, F., Phys. Rev. B, 82, 113104, 2010.
-
(2010)
Phys. Rev. B
, vol.82
, pp. 113104
-
-
Fabiano, E.1
Constantin, L.A.2
Della Sala, F.3
-
24
-
-
79957603380
-
-
Constantin, L. A., Fabiano, E., Laricchia, S., and Della Sala, F., Phys. Rev. Lett., 106, 186406, 2011.
-
(2011)
Phys. Rev. Lett.
, vol.106
, pp. 186406
-
-
Constantin, L.A.1
Fabiano, E.2
Laricchia, S.3
Della Sala, F.4
-
25
-
-
80755176390
-
-
Fabiano, E., Constantin, L. A., and Della Sala, F., J. Chem. Theory Comput., 7, 3548, 2011.
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 3548
-
-
Fabiano, E.1
Constantin, L.A.2
Della Sala, F.3
-
26
-
-
84858967578
-
-
M. del Campo, J., Gázquez, J. L., Trickey, S. B., and Vela, A., J. Chem. Phys., 136, 104108, 2012.
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 104108
-
-
del Campo, M.J.1
Gázquez, J.L.2
Trickey, S.B.3
Vela, A.4
-
27
-
-
0001111766
-
-
Antoniewicz, P. R. and Kleinman, L., Phys. Rev. B, 31, 6779, 1985.
-
(1985)
Phys. Rev. B
, vol.31
, pp. 6779
-
-
Antoniewicz, P.R.1
Kleinman, L.2
-
28
-
-
67650544672
-
-
Vela, A., Medel, V., and Trickey, S. B., J. Chem. Phys., 130, 244103, 2009.
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 244103
-
-
Vela, A.1
Medel, V.2
Trickey, S.B.3
-
29
-
-
0003754095
-
-
Ziesche, P. and Eschrig, H., eds., Akademie, Berlin
-
Perdew, J. P., in Electronic Structure of Solids '91, Ziesche, P. and Eschrig, H., eds., Akademie, Berlin, 1991, 11.
-
(1991)
Electronic Structure of Solids '91
, pp. 11
-
-
Perdew, J.P.1
-
30
-
-
0001450702
-
-
Lacks, D. J. and Gordon, R. G., Phys. Rev. A, 47, 4681, 1993.
-
(1993)
Phys. Rev. A
, vol.47
, pp. 4681
-
-
Lacks, D.J.1
Gordon, R.G.2
-
31
-
-
84859965806
-
-
Vela, A., Pacheco-Kato, J. C., Gázquez, J. L., M. del Campo, J., and Trickey, S. B., J. Chem. Phys., 136, 144115, 2012.
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 144115
-
-
Vela, A.1
Pacheco-Kato, J.C.2
Gázquez, J.L.3
del Campo, M.J.4
Trickey, S.B.5
-
32
-
-
0039296584
-
-
Zupan, A., Perdew, J. P., Burke, K., and Causà, M., Int. J. Quantum Chem., 61, 835, 1997.
-
(1997)
Int. J. Quantum Chem.
, vol.61
, pp. 835
-
-
Zupan, A.1
Perdew, J.P.2
Burke, K.3
Causà, M.4
-
33
-
-
0000425140
-
-
Zupan, A., Burke, K., Ernzerhof, M., and Perdew, J. P., 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
-
34
-
-
84867741207
-
-
M. del Campo, J., Gázquez, J. L., Alvarez-Mendez, R. J., and Vela, A., Int. J. Quantum Chem., 112, 3594, 2012.
-
(2012)
Int. J. Quantum Chem.
, vol.112
, pp. 3594
-
-
del Campo, M.J.1
Gázquez, J.L.2
Alvarez-Mendez, R.J.3
Vela, A.4
-
35
-
-
33845219115
-
-
Perdew, J. P., Constantin, L. A., Sagvolden, E., and Burke, K., Phys. Rev. Lett., 97, 223002, 2006.
-
(2006)
Phys. Rev. Lett.
, vol.97
, pp. 223002
-
-
Perdew, J.P.1
Constantin, L.A.2
Sagvolden, E.3
Burke, K.4
-
36
-
-
70350648863
-
-
Elliott, P. and Burke, K., Can. J. Chem., 87, 1485, 2009.
-
(2009)
Can. J. Chem.
, vol.87
, pp. 1485
-
-
Elliott, P.1
Burke, K.2
-
37
-
-
58749113260
-
-
Lee, D., Constantin, L. A., Perdew, J. P., and Burke, K., J. Chem. Phys., 130, 034107, 2009.
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 034107
-
-
Lee, D.1
Constantin, L.A.2
Perdew, J.P.3
Burke, K.4
-
39
-
-
0035836323
-
-
Handy, N. C. and Cohen, A., J. Mol. Phys., 99, 403, 2001.
-
(2001)
J. Mol. Phys.
, vol.99
, pp. 403
-
-
Handy, N.C.1
Cohen, A.2
-
40
-
-
0345491105
-
-
Lee, C. T., Yang, W. T., and Parr, R. G., Phys. Rev. B, 37, 785, 1988.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.T.1
Yang, W.T.2
Parr, R.G.3
-
41
-
-
4243669339
-
-
van Leeuwen, R. and Baerends, E., J. Phys. Rev. A, 49, 2421, 1994.
-
(1994)
J. Phys. Rev. A
, vol.49
, pp. 2421
-
-
van Leeuwen, R.1
Baerends, E.2
-
42
-
-
0007710280
-
-
Engel, E., Chevary, J. A., Macdonald, L. D., and Vosko, S. H., Z. Phys. D, 23, 7, 1992.
-
(1992)
Z. Phys. D
, vol.23
, pp. 7
-
-
Engel, E.1
Chevary, J.A.2
Macdonald, L.D.3
Vosko, S.H.4
-
43
-
-
77955309392
-
-
Valiev, M., Bylaska, E. J., Govind, N., Kowalski, K., Straatsma, T. P., Van Dam, H. J. J., Wang, D., Nieplocha, J., Apra, E., Windus, T. L., and de Jong, W., Comput. Phys. Commun., 181, 1477, 2010.
-
(2010)
Comput. Phys. Commun.
, vol.181
, pp. 1477
-
-
Valiev, M.1
Bylaska, E.J.2
Govind, N.3
Kowalski, K.4
Straatsma, T.P.5
Van Dam, H.J.J.6
Wang, D.7
Nieplocha, J.8
Apra, E.9
Windus, T.L.10
de Jong, W.11
-
44
-
-
68749089937
-
-
erratum, 106, 179902, 2011
-
Perdew, J. P., Ruzsinszky, A., Csonka, G. I., Constantin, L. A., and Sun, J. W., Phys. Rev. Lett., 103, 026403, 2009, erratum, 106, 179902, 2011.
-
(2009)
Phys. Rev. Lett.
, vol.103
, pp. 026403
-
-
Perdew, J.P.1
Ruzsinszky, A.2
Csonka, G.I.3
Constantin, L.A.4
Sun, J.W.5
-
45
-
-
77952032315
-
-
Johnson, E. R., Keinan, S., Mori-Sanchez, P., Contreras-Garcia, J., Cohen, A. J., and Yang, W. T., J. Am. Chem. Soc., 132, 6498, 2010.
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 6498
-
-
Johnson, E.R.1
Keinan, S.2
Mori-Sanchez, P.3
Contreras-Garcia, J.4
Cohen, A.J.5
Yang, W.T.6
-
46
-
-
79952583698
-
-
Contreras-Garcia, J., Johnson, E. R., Keinan, S., Chaudret, R., Piquemal, J. P., Beratan, D. N., and Yang, W. T. J. Chem. Theory Comput., 7, 625, 2011.
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 625
-
-
Contreras-Garcia, J.1
Johnson, E.R.2
Keinan, S.3
Chaudret, R.4
Piquemal, J.P.5
Beratan, D.N.6
Yang, W.T.7
-
47
-
-
36148936805
-
-
The deMon Developers, Cinvestav, Mexico City
-
Koster, A. M., Geudtner, G., Calaminici, P., Casida, M. E., Domínguez, V. D., Flores-Moreno, R., Gamboa, G. U., Goursot, A., Heine, T., Ipatov, A., Janetzko, F., M. del Campo, J., Reveles, J. U., Vela, A., Zuniga-Gutierrez, B., and Salahub, D. R., deMon2k, Version 3.x, The deMon Developers, Cinvestav, Mexico City, 2011.
-
(2011)
deMon2k, Version 3.x
-
-
Koster, A.M.1
Geudtner, G.2
Calaminici, P.3
Casida, M.E.4
Domínguez, V.D.5
Flores-Moreno, R.6
Gamboa, G.U.7
Goursot, A.8
Heine, T.9
Ipatov, A.10
Janetzko, F.11
del Campo, J.M.12
Reveles, J.U.13
Vela, A.14
Zuniga-Gutierrez, B.15
Salahub, D.R.16
-
50
-
-
0001367462
-
-
Morrell, M. M., Parr, R. G., and Levy, M., J. Chem. Phys., 62, 549, 1975.
-
(1975)
J. Chem. Phys.
, vol.62
, pp. 549
-
-
Morrell, M.M.1
Parr, R.G.2
Levy, M.3
-
51
-
-
0000384397
-
-
Katriel, J. and Davidson, E. R., Proc. Natl. Acad. Sci. USA, 77, 4403, 1980.
-
(1980)
Proc. Natl. Acad. Sci. USA
, vol.77
, pp. 4403
-
-
Katriel, J.1
Davidson, E.R.2
|