-
1
-
-
0016650111
-
-
SSCOA4 0038-1098 10.1016/0038-1098(75)90618-3
-
D. Langreth and J. Perdew, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(75)90618-3 17, 1425 (1975).
-
(1975)
Solid State Commun.
, vol.17
, pp. 1425
-
-
Langreth, D.1
Perdew, J.2
-
2
-
-
25544474582
-
-
1098-0121 10.1103/PhysRevB.13.4274
-
O. Gunnarsson and B. I. Lundqvist, Phys. Rev. B 1098-0121 10.1103/PhysRevB.13.4274 13, 4274 (1976).
-
(1976)
Phys. Rev. B
, vol.13
, pp. 4274
-
-
Gunnarsson, O.1
Lundqvist, B.I.2
-
3
-
-
0035891014
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.64.195120
-
F. Furche, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.64.195120 64, 195120 (2001).
-
(2001)
Phys. Rev. B
, vol.64
, pp. 195120
-
-
Furche, F.1
-
5
-
-
77955010483
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.81.115126
-
J. Harl, L. Schimka, and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.115126 81, 115126 (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 115126
-
-
Harl, J.1
Schimka, L.2
Kresse, G.3
-
6
-
-
84874522989
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.87.075111
-
T. Olsen and K. S. Thygesen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.87.075111 87, 075111 (2013).
-
(2013)
Phys. Rev. B
, vol.87
, pp. 075111
-
-
Olsen, T.1
Thygesen, K.S.2
-
7
-
-
84874527119
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.87.075207
-
J. Yan, J. S. Hummelshøj, and J. K. Nørskov, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.87.075207 87, 075207 (2013).
-
(2013)
Phys. Rev. B
, vol.87
, pp. 075207
-
-
Yan, J.1
Hummelshøj, J.S.2
Nørskov, J.K.3
-
8
-
-
78149314542
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.105.196401
-
S. Lebègue, J. Harl, T. Gould, J. G. Ángyán, G. Kresse, and J. F. Dobson, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett. 105.196401 105, 196401 (2010).
-
(2010)
Phys. Rev. Lett.
, vol.105
, pp. 196401
-
-
Lebègue, S.1
Harl, J.2
Gould, T.3
Ángyán, J.G.4
Kresse, G.5
Dobson, J.F.6
-
9
-
-
80053479878
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.107.156401
-
T. Olsen, J. Yan, J. J. Mortensen, and K. S. Thygesen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.107.156401 107, 156401 (2011).
-
(2011)
Phys. Rev. Lett.
, vol.107
, pp. 156401
-
-
Olsen, T.1
Yan, J.2
Mortensen, J.J.3
Thygesen, K.S.4
-
10
-
-
82655169591
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.84.201401
-
F. Mittendorfer, A. Garhofer, J. Redinger, J. Klimes, J. Harl, and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.201401 84, 201401 (2011).
-
(2011)
Phys. Rev. B
, vol.84
, pp. 201401
-
-
Mittendorfer, F.1
Garhofer, A.2
Redinger, J.3
Klimes, J.4
Harl, J.5
Kresse, G.6
-
11
-
-
84855574249
-
-
TCACFW 1432-881X 10.1007/s00214-011-1084-8
-
H. Eshuis, J. E. Bates, and F. Furche, Theor. Chem. Acc. TCACFW 1432-881X 10.1007/s00214-011-1084-8 131, 1084 (2012).
-
(2012)
Theor. Chem. Acc.
, vol.131
, pp. 1084
-
-
Eshuis, H.1
Bates, J.E.2
Furche, F.3
-
12
-
-
84875784267
-
-
JMTSAS 0022-2461 10.1007/s10853-012-6570-4
-
X. Ren, P. Rinke, C. Joas, and M. Scheffler, J. Mater. Sci. JMTSAS 0022-2461 10.1007/s10853-012-6570-4 47, 7447 (2012).
-
(2012)
J. Mater. Sci.
, vol.47
, pp. 7447
-
-
Ren, X.1
Rinke, P.2
Joas, C.3
Scheffler, M.4
-
13
-
-
0000548546
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.61.16430
-
Z. Yan, J. P. Perdew, and S. Kurth, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.61.16430 61, 16430 (2000).
-
(2000)
Phys. Rev. B
, vol.61
, pp. 16430
-
-
Yan, Z.1
Perdew, J.P.2
Kurth, S.3
-
14
-
-
70449382771
-
-
JCPSA6 0021-9606 10.1063/1.3250347
-
A. Grüneis, M. Marsman, J. Harl, L. Schimka, and G. Kresse, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3250347 131, 154115 (2009).
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 154115
-
-
Grüneis, A.1
Marsman, M.2
Harl, J.3
Schimka, L.4
Kresse, G.5
-
15
-
-
0012597289
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.52.997
-
E. Runge and E. K. U. Gross, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.52.997 52, 997 (1984).
-
(1984)
Phys. Rev. Lett.
, vol.52
, pp. 997
-
-
Runge, E.1
Gross, E.K.U.2
-
16
-
-
75749150177
-
-
JCPSA6 0021-9606 10.1063/1.3290947
-
M. Hellgren and U. von Barth, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3290947 132, 044101 (2010).
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 044101
-
-
Hellgren, M.1
Von Barth, U.2
-
17
-
-
77951125111
-
-
MOPHAM 0026-8976 10.1080/00268970903476662
-
A. Heßelmann and A. Görling, Mol. Phys. MOPHAM 0026-8976 10.1080/00268970903476662 108, 359 (2010).
-
(2010)
Mol. Phys.
, vol.108
, pp. 359
-
-
Heßelmann, A.1
Görling, A.2
-
18
-
-
79952145487
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.106.093001
-
A. Heßelmann and A. Görling, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.106.093001 106, 093001 (2011).
-
(2011)
Phys. Rev. Lett.
, vol.106
, pp. 093001
-
-
Heßelmann, A.1
Görling, A.2
-
19
-
-
0000010067
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.61.13431
-
M. Lein, E. K. U. Gross, and J. P. Perdew, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.61.13431 61, 13431 (2000).
-
(2000)
Phys. Rev. B
, vol.61
, pp. 13431
-
-
Lein, M.1
Gross, E.K.U.2
Perdew, J.P.3
-
20
-
-
21244505043
-
Fluctuation-dissipation theorem density-functional theory
-
DOI 10.1063/1.1884112, 164106
-
F. Furche and T. V. Voorhis, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1884112 122, 164106 (2005). (Pubitemid 40890442)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.16
, pp. 1-10
-
-
Furche, F.1
Van Voorhis, T.2
-
22
-
-
42749106254
-
Effects beyond the random-phase approximation in calculating the interaction between metal films
-
DOI 10.1103/PhysRevB.70.205107, 205107
-
J. Jung, P. Garcia-González, J. F. Dobson, and R. W. Godby, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.70.205107 70, 205107 (2004). (Pubitemid 40153506)
-
(2004)
Physical Review B - Condensed Matter and Materials Physics
, vol.70
, Issue.20
, pp. 2051071-20510711
-
-
Jung, J.1
Garcia-Gonzalez, P.2
Dobson, J.F.3
Godby, R.W.4
-
23
-
-
84866915322
-
-
JCPSA6 0021-9606 10.1063/1.4755286
-
T. Gould, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.4755286 137, 111101 (2012).
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 111101
-
-
Gould, T.1
-
24
-
-
84865079474
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.86.081103
-
T. Olsen and K. S. Thygesen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.86.081103 86, 081103 (R) (2012).
-
(2012)
Phys. Rev. B
, vol.86
, pp. 081103
-
-
Olsen, T.1
Thygesen, K.S.2
-
25
-
-
0036057017
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.74.601
-
G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.74.601 74, 601 (2002).
-
(2002)
Rev. Mod. Phys.
, vol.74
, pp. 601
-
-
Onida, G.1
Reining, L.2
Rubio, A.3
-
26
-
-
0000564644
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.46.12947
-
J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.46.12947 46, 12947 (1992).
-
(1992)
Phys. Rev. B
, vol.46
, pp. 12947
-
-
Perdew, J.P.1
Wang, Y.2
-
27
-
-
15444377222
-
Real-space grid implementation of the projector augmented wave method
-
DOI 10.1103/PhysRevB.71.035109, 035109
-
J. J. Mortensen, L. B. Hansen, and K. W. Jacobsen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.71.035109 71, 035109 (2005). (Pubitemid 40396389)
-
(2005)
Physical Review B - Condensed Matter and Materials Physics
, vol.71
, Issue.3
, pp. 1-11
-
-
Mortensen, J.J.1
Hansen, L.B.2
Jacobsen, K.W.3
-
28
-
-
77953748283
-
-
JCOMEL 0953-8984 10.1088/0953-8984/22/25/253202
-
J. Enkovaara, C. Rostgaard, J. J. Mortensen, J. Chen, M. Dulak, L. Ferrighi, J. Gavnholt, C. Glinsvad, V. Haikola, H. A. Hansen, H. H. Kristoffersen, M. Kuisma, A. H. Larsen, L. Lehtovaara, M. Ljungberg, O. Lopez-Acevedo, P. G. Moses, J. Ojane, T. Olsen, V. Petzold, N. A. Romero, J. Stausholm-Møller, M. Strange, G. A. Tritsaris, M. Vanin, M. Walter, B. Hammer, H. Häkkinen, G. K. H. Madsen, R. M. Nieminen, J. K. Nørskov, M. Puska, T. T. Rantala, J. Schiøtz, K. S. Thygesen, and K. W. Jacobsen, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/22/25/253202 22, 253202 (2010).
-
(2010)
J. Phys.: Condens. Matter
, vol.22
, pp. 253202
-
-
Enkovaara, J.1
Rostgaard, C.2
Mortensen, J.J.3
Chen, J.4
Dulak, M.5
Ferrighi, L.6
Gavnholt, J.7
Glinsvad, C.8
Haikola, V.9
Hansen, H.A.10
Kristoffersen, H.H.11
Kuisma, M.12
Larsen, A.H.13
Lehtovaara, L.14
Ljungberg, M.15
Lopez-Acevedo, O.16
Moses, P.G.17
Ojane, J.18
Olsen, T.19
Petzold, V.20
Romero, N.A.21
Stausholm-Møller, J.22
Strange, M.23
Tritsaris, G.A.24
Vanin, M.25
Walter, M.26
Hammer, B.27
Häkkinen, H.28
Madsen, G.K.H.29
Nieminen, R.M.30
Nørskov, J.K.31
Puska, M.32
Rantala, T.T.33
Schiøtz, J.34
Thygesen, K.S.35
Jacobsen, K.W.36
more..
-
29
-
-
25744460922
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.50.17953
-
P. E. Blöchl, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953
-
-
Blöchl, P.E.1
-
30
-
-
79961222789
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.83.245122
-
J. Yan, J. J. Mortensen, K. W. Jacobsen, and K. S. Thygesen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.245122 83, 245122 (2011).
-
(2011)
Phys. Rev. B
, vol.83
, pp. 245122
-
-
Yan, J.1
Mortensen, J.J.2
Jacobsen, K.W.3
Thygesen, K.S.4
-
31
-
-
38849107422
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.77.045136
-
J. Harl and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77. 045136 77, 045136 (2008).
-
(2008)
Phys. Rev. B
, vol.77
, pp. 045136
-
-
Harl, J.1
Kresse, G.2
-
32
-
-
33750004854
-
W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions
-
DOI 10.1063/1.2348881
-
A. Karton, E. Rabinovich, J. M. L. Martin, and B. Ruscic, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2348881 125, 144108 (2006). (Pubitemid 44570774)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.14
, pp. 144108
-
-
Karton, A.1
Rabinovich, E.2
Martin, J.M.L.3
Ruscic, B.4
-
34
-
-
84884856164
-
-
P. Jurecka, J. Sponer, J. Cerny, and P. Hobza, Phys. Chem. Chem. Phys. 8, 17 (2006).
-
(2006)
Phys. Chem. Chem. Phys.
, vol.8
, pp. 17
-
-
Jurecka, P.1
Sponer, J.2
Cerny, J.3
Hobza, P.4
-
35
-
-
3242718844
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.92.246401
-
M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.92.246401 92, 246401 (2004).
-
(2004)
Phys. Rev. Lett.
, vol.92
, pp. 246401
-
-
Dion, M.1
Rydberg, H.2
Schröder, E.3
Langreth, D.C.4
Lundqvist, B.I.5
|