-
1
-
-
33847389465
-
Coupled-cluster theory in quantum chemistry
-
DOI 10.1103/RevModPhys.79.291
-
R.J. Bartlett and M. Muslat, Rev. Mod. Phys. 79, 291 (2007). RMPHAT 0034-686 (Pubitemid 46346056)
-
(2007)
Reviews of Modern Physics
, vol.79
, Issue.1
, pp. 291-352
-
-
Bartlett, R.J.1
Musial, M.2
-
2
-
-
84872619319
-
-
NATUAS 0028-0836 10.1038/nature11770
-
G.H. Booth, A. Grüneis, G. Kresse, and A. Alavi, Nature (London) 493, 365 (2013). NATUAS 0028-0836 10.1038/nature11770
-
(2013)
Nature (London)
, vol.493
, pp. 365
-
-
Booth, G.H.1
Grüneis, A.2
Kresse, G.3
Alavi, A.4
-
3
-
-
84878349541
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.110.226401
-
J.J. Shepherd and A. Grüneis, Phys. Rev. Lett. 110, 226401 (2013). PRLTAO 0031-9007 10.1103/PhysRevLett.110.226401
-
(2013)
Phys. Rev. Lett.
, vol.110
, pp. 226401
-
-
Shepherd, J.J.1
Grüneis, A.2
-
4
-
-
36149003114
-
-
PHRVAO 0031-899X 10.1103/PhysRev.82.625
-
D. Bohm and D. Pines, Phys. Rev. 82, 625 (1951). PHRVAO 0031-899X 10.1103/PhysRev.82.625
-
(1951)
Phys. Rev.
, vol.82
, pp. 625
-
-
Bohm, D.1
Pines, D.2
-
5
-
-
0035891014
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.64.195120
-
F. Furche, Phys. Rev. B 64, 195120 (2001). PRBMDO 0163-1829 10.1103/PhysRevB.64.195120
-
(2001)
Phys. Rev. B
, vol.64
, pp. 195120
-
-
Furche, F.1
-
7
-
-
84875784267
-
-
JMTSAS 0022-2461 10.1007/s10853-012-6570-4
-
X. Ren, P. Rinke, C. Joas, and M. Scheffler, J. Mater. Sci. 47, 7447 (2012). JMTSAS 0022-2461 10.1007/s10853-012-6570-4
-
(2012)
J. Mater. Sci.
, vol.47
, pp. 7447
-
-
Ren, X.1
Rinke, P.2
Joas, C.3
Scheffler, M.4
-
8
-
-
80053479878
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.107.156401
-
T. Olsen, J. Yan, J.J. Mortensen, and K.S. Thygesen, Phys. Rev. Lett. 107, 156401 (2011). PRLTAO 0031-9007 10.1103/PhysRevLett.107.156401
-
(2011)
Phys. Rev. Lett.
, vol.107
, pp. 156401
-
-
Olsen, T.1
Yan, J.2
Mortensen, J.J.3
Thygesen, K.S.4
-
9
-
-
84874522989
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.87.075111
-
T. Olsen and K.S. Thygesen, Phys. Rev. B 87, 075111 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.075111
-
(2013)
Phys. Rev. B
, vol.87
, pp. 075111
-
-
Olsen, T.1
Thygesen, K.S.2
-
10
-
-
84874527119
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.87.075207
-
J. Yan, J.S. Hummelshøj, and J.K. Nørskov, Phys. Rev. B 87, 075207 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.075207
-
(2013)
Phys. Rev. B
, vol.87
, pp. 075207
-
-
Yan, J.1
Hummelshøj, J.S.2
Nørskov, J.K.3
-
11
-
-
68649092014
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.103.056401
-
J. Harl and G. Kresse, Phys. Rev. Lett. 103, 056401 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.103.056401
-
(2009)
Phys. Rev. Lett.
, vol.103
, pp. 056401
-
-
Harl, J.1
Kresse, G.2
-
12
-
-
77955010483
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.81.115126
-
J. Harl, L. Schimka, and G. Kresse, Phys. Rev. B 81, 115126 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.81.115126
-
(2010)
Phys. Rev. B
, vol.81
, pp. 115126
-
-
Harl, J.1
Schimka, L.2
Kresse, G.3
-
13
-
-
77956062988
-
-
NMAACR 1476-1122 10.1038/nmat2806
-
L. Schimka, J. Harl, A. Stroppa, A. Grüneis, M. Marsman, F. Mittendorfer, and G. Kresse, Nat. Mater. 9, 741 (2010). NMAACR 1476-1122 10.1038/nmat2806
-
(2010)
Nat. Mater.
, vol.9
, pp. 741
-
-
Schimka, L.1
Harl, J.2
Stroppa, A.3
Grüneis, A.4
Marsman, M.5
Mittendorfer, F.6
Kresse, G.7
-
14
-
-
0000010067
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.61.13431
-
M. Lein, E.K.U. Gross, and J.P. Perdew, Phys. Rev. B 61, 13431 (2000). PRBMDO 0163-1829 10.1103/PhysRevB.61.13431
-
(2000)
Phys. Rev. B
, vol.61
, pp. 13431
-
-
Lein, M.1
Gross, E.K.U.2
Perdew, J.P.3
-
15
-
-
21244505043
-
Fluctuation-dissipation theorem density-functional theory
-
DOI 10.1063/1.1884112, 164106
-
F. Furche and T.V. Voorhis, J. Chem. Phys. 122, 164106 (2005). JCPSA6 0021-9606 10.1063/1.1884112 (Pubitemid 40890442)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.16
, pp. 1-10
-
-
Furche, F.1
Van Voorhis, T.2
-
17
-
-
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 70, 205107 (2004). PRBMDO 1098-0121 10.1103/PhysRevB.70.205107 (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
-
18
-
-
84866915322
-
-
JCPSA6 0021-9606 10.1063/1.4755286
-
T. Gould, J. Chem. Phys. 137, 111101 (2012). JCPSA6 0021-9606 10.1063/1.4755286
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 111101
-
-
Gould, T.1
-
19
-
-
77951125111
-
-
MOPHAM 0026-8976 10.1080/00268970903476662
-
A. Heßelmann and A. Görling, Mol. Phys. 108, 359 (2010). MOPHAM 0026-8976 10.1080/00268970903476662
-
(2010)
Mol. Phys.
, vol.108
, pp. 359
-
-
Heßelmann, A.1
Görling, A.2
-
20
-
-
79952145487
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.106.093001
-
A. Heßelmann and A. Görling, Phys. Rev. Lett. 106, 093001 (2011). PRLTAO 0031-9007 10.1103/PhysRevLett.106.093001
-
(2011)
Phys. Rev. Lett.
, vol.106
, pp. 093001
-
-
Heßelmann, A.1
Görling, A.2
-
21
-
-
84901412580
-
-
JCPSA6 0021-9606 10.1063/1.4867538
-
D. Lu, J. Chem. Phys. 140, 18A520 (2014). JCPSA6 0021-9606 10.1063/1.4867538
-
(2014)
J. Chem. Phys.
, vol.140
-
-
Lu, D.1
-
22
-
-
70449382771
-
-
JCPSA6 0021-9606 10.1063/1.3250347
-
A. Grüneis, M. Marsman, J. Harl, L. Schimka, and G. Kresse, J. Chem. Phys. 131, 154115 (2009). JCPSA6 0021-9606 10.1063/1.3250347
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 154115
-
-
Grüneis, A.1
Marsman, M.2
Harl, J.3
Schimka, L.4
Kresse, G.5
-
24
-
-
84901455916
-
-
See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevLett.112.203001 for an alternative derivation of the renormalized kernels, calculational details, the data used to generate Figs. 1-4, and optimized rAPBE geometries of a few solids and molecules.
-
-
-
-
25
-
-
84865079474
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.86.081103
-
T. Olsen and K.S. Thygesen, Phys. Rev. B 86, 081103(R) (2012). PRBMDO 1098-0121 10.1103/PhysRevB.86.081103
-
(2012)
Phys. Rev. B
, vol.86
-
-
Olsen, T.1
Thygesen, K.S.2
-
26
-
-
84884891470
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.88.115131
-
T. Olsen and K.S. Thygesen, Phys. Rev. B 88, 115131 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.88.115131
-
(2013)
Phys. Rev. B
, vol.88
, pp. 115131
-
-
Olsen, T.1
Thygesen, K.S.2
-
27
-
-
77953748283
-
-
JCOMEL 0953-8984 10.1088/0953-8984/22/25/253202
-
J. Enkovaara, J. Phys. Condens. Matter 22, 253202 (2010). JCOMEL 0953-8984 10.1088/0953-8984/22/25/253202
-
(2010)
J. Phys. Condens. Matter
, vol.22
, pp. 253202
-
-
Enkovaara, J.1
-
28
-
-
79961222789
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.83.245122
-
J. Yan, J.J. Mortensen, K.W. Jacobsen, and K.S. Thygesen, Phys. Rev. B 83, 245122 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.83.245122
-
(2011)
Phys. Rev. B
, vol.83
, pp. 245122
-
-
Yan, J.1
Mortensen, J.J.2
Jacobsen, K.W.3
Thygesen, K.S.4
-
29
-
-
25744460922
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.50.17953
-
P.E. Blöchl, Phys. Rev. B 50, 17953 (1994). PRBMDO 0163-1829 10.1103/PhysRevB.50.17953
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953
-
-
Blöchl, P.E.1
-
30
-
-
79960624488
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.106.153003
-
X. Ren, A. Tkatchenko, P. Rinke, and M. Scheffler, Phys. Rev. Lett. 106, 153003 (2011). PRLTAO 0031-9007 10.1103/PhysRevLett.106.153003
-
(2011)
Phys. Rev. Lett.
, vol.106
, pp. 153003
-
-
Ren, X.1
Tkatchenko, A.2
Rinke, P.3
Scheffler, M.4
-
31
-
-
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. 125, 144108 (2006). JCPSA6 0021-9606 10.1063/1.2348881 (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
-
32
-
-
84899863677
-
-
JCPSA6 0021-9606 10.1063/1.4871875
-
T. Olsen and K.S. Thygesen, J. Chem. Phys. 140, 164116 (2014). JCPSA6 0021-9606 10.1063/1.4871875
-
(2014)
J. Chem. Phys.
, vol.140
, pp. 164116
-
-
Olsen, T.1
Thygesen, K.S.2
-
33
-
-
34547139150
-
-
JCPSA6 0021-9606 10.1063/1.2187006
-
J. Paier, M. Marsman, K. Hummer, G. Kresse, I.C. Gerber, and J.G. Angyan, J. Chem. Phys. 124, 154709 (2006). JCPSA6 0021-9606 10.1063/1.2187006
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 154709
-
-
Paier, J.1
Marsman, M.2
Hummer, K.3
Kresse, G.4
Gerber, I.C.5
Angyan, J.G.6
-
34
-
-
84863308434
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.85.235149
-
J. Wellendorff, K.T. Lundgaard, A. Møgelhøj, V. Petzold, D.D. Landis, J.K. Nørskov, T. Bligaard, and K.W. Jacobsen, Phys. Rev. B 85, 235149 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.85.235149
-
(2012)
Phys. Rev. B
, vol.85
, pp. 235149
-
-
Wellendorff, J.1
Lundgaard, K.T.2
Møgelhøj, A.3
Petzold, V.4
Landis, D.D.5
Nørskov, J.K.6
Bligaard, T.7
Jacobsen, K.W.8
-
35
-
-
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 84, 201401 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.84. 201401
-
(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
|