-
2
-
-
0037045235
-
-
S. Tsuzuki, K. Honda, T. Uchimaru, M. Mikami, and K. Tanabe, J. Am. Chem. Soc. 124, 104 (2002).
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 104
-
-
Tsuzuki, S.1
Honda, K.2
Uchimaru, T.3
Mikami, M.4
Tanabe, K.5
-
6
-
-
11744263237
-
-
0163-1829
-
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, and D. J. Singh, Phys. Rev. B 0163-1829 46, 6681 (1992); J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, and D. J. Singh, Phys. Rev. B 48, 4979 (E) (1993).
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6681
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
-
7
-
-
0001573475
-
-
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, and D. J. Singh, Phys. Rev. B 0163-1829 46, 6681 (1992); J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, and D. J. Singh, Phys. Rev. B 48, 4979 (E) (1993).
-
(1993)
Phys. Rev. B
, vol.48
, pp. 4979
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
-
9
-
-
1642408436
-
-
V. N. Staroverov, G. E. Scuseria, J. Tao, and J. P. Perdew, Phys. Rev. B 69, 75102 (2004).
-
(2004)
Phys. Rev. B
, vol.69
, pp. 75102
-
-
Staroverov, V.N.1
Scuseria, G.E.2
Tao, J.3
Perdew, J.P.4
-
10
-
-
0347319419
-
-
V. N. Staroverov, G. E. Scuseria, J. Tao, and J. P. Perdew, J. Chem. Phys. 119, 12129 (2003).
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 12129
-
-
Staroverov, V.N.1
Scuseria, G.E.2
Tao, J.3
Perdew, J.P.4
-
11
-
-
3242718844
-
-
M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 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
-
12
-
-
0001225025
-
-
0192-8651 10.1002/(SICI)1096-987X(199605)17:7<841::AID-JCC83.0.CO;2-S
-
J. Šponer, J. Leszczynski, and P. Hobza, J. Comput. Chem. 0192-8651 10.1002/(SICI)1096-987X(199605)17:7<841::AID-JCC83.0.CO;2-S 17, 841 (1996); P. Hobza, J. Šponer, and T. Reschel, J. Comput. Chem. 16, 1315 (1995).
-
(1996)
J. Comput. Chem.
, vol.17
, pp. 841
-
-
Šponer, J.1
Leszczynski, J.2
Hobza, P.3
-
13
-
-
84986461296
-
-
J. Šponer, J. Leszczynski, and P. Hobza, J. Comput. Chem. 0192-8651 10.1002/(SICI)1096-987X(199605)17:7<841::AID-JCC83.0.CO;2-S 17, 841 (1996); P. Hobza, J. Šponer, and T. Reschel, J. Comput. Chem. 16, 1315 (1995).
-
(1995)
J. Comput. Chem.
, vol.16
, pp. 1315
-
-
Hobza, P.1
Šponer, J.2
Reschel, T.3
-
16
-
-
0142219835
-
-
H. Rydberg, M. Dion, N. Jacobson, E. Schröder, P. Hyldgaard, S. I. Simak, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 91, 126402 (2003).
-
(2003)
Phys. Rev. Lett.
, vol.91
, pp. 126402
-
-
Rydberg, H.1
Dion, M.2
Jacobson, N.3
Schröder, E.4
Hyldgaard, P.5
Simak, S.I.6
Langreth, D.C.7
Lundqvist, B.I.8
-
17
-
-
0035932162
-
-
M. Elstner, P. Hobza, T. Frauenheim, S. Suhai, and E. Kaxiras, J. Chem. Phys. 114, 5149 (2001).
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 5149
-
-
Elstner, M.1
Hobza, P.2
Frauenheim, T.3
Suhai, S.4
Kaxiras, E.5
-
18
-
-
0035891306
-
-
X. Wu, M. C. Vargas, S. Nayak, V. Lotrich, and G. Scoles, J. Chem. Phys. 115, 8748 (2001).
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 8748
-
-
Wu, X.1
Vargas, M.C.2
Nayak, S.3
Lotrich, V.4
Scoles, G.5
-
19
-
-
1542779956
-
-
M. Elstner, D. Porezag, G. Jungnickel, J. Elstner, M. Haughk, T. Frauenheim, S. Suhai, and G. Seifert, Phys. Rev. B 58, 7260 (1996).
-
(1996)
Phys. Rev. B
, vol.58
, pp. 7260
-
-
Elstner, M.1
Porezag, D.2
Jungnickel, G.3
Elstner, J.4
Haughk, M.5
Frauenheim, T.6
Suhai, S.7
Seifert, G.8
-
20
-
-
0006838610
-
-
D. Sanches-Portal, P. Ordejon, E. Artacho, and J. M. Soler, Int. J. Quantum Chem. 65, 453 (1997).
-
(1997)
Int. J. Quantum Chem.
, vol.65
, pp. 453
-
-
Sanches-Portal, D.1
Ordejon, P.2
Artacho, E.3
Soler, J.M.4
-
21
-
-
13944261578
-
-
D. C. Langreth, M. Dion, H. Rydberg, E. Schröder, and B. I. Lundqvist, Int. J. Quantum Chem. 101, 599 (2005).
-
(2005)
Int. J. Quantum Chem.
, vol.101
, pp. 599
-
-
Langreth, D.C.1
Dion, M.2
Rydberg, H.3
Schröder, E.4
Lundqvist, B.I.5
-
23
-
-
84858881968
-
-
2005-16, Chalmers University of Technology; this work supercedes an earlier method (see Ref. 22 below) for extracting finite dimer energies from an infinite double layer.
-
S. D. Chakarova-Käck, J. Kleis, and E. Schröder, "Dimers of polycyclic aromatic hydrocarbons in density functional theory," in Applied Physics Report, 2005-16, Chalmers University of Technology; this work supercedes an earlier method (see Ref. below) for extracting finite dimer energies from an infinite double layer.
-
-
-
Chakarova-Käck, S.D.1
Kleis, J.2
Schröder, E.3
-
25
-
-
0842333162
-
-
S. Tsuzuki, K. Honda, T. Uchimaru, and M. Mikami, J. Chem. Phys. 120, 647 (2004).
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 647
-
-
Tsuzuki, S.1
Honda, K.2
Uchimaru, T.3
Mikami, M.4
-
27
-
-
84858880348
-
-
2006-6, Chalmers University of Technology.
-
J. Kleis, B. I. Lundqvist, D. C. Langreth, and E. Schröder, "First-principles determination of the polyethylene crystal structure," in Applied Physics Report, 2006-6, Chalmers University of Technology.
-
-
-
Kleis, J.1
Lundqvist, B.I.2
Langreth, D.C.3
Schröder, E.4
-
28
-
-
10644250257
-
-
0096-8269 10.1103/PhysRev.136.B864
-
P. Hohenberg and W. Kohn, Phys. Rev. 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
-
(1964)
Phys. Rev.
, vol.136
, pp. 864
-
-
Hohenberg, P.1
Kohn, W.2
-
29
-
-
0042113153
-
-
P. Hohenberg and W. Kohn, Phys. Rev. 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
-
(1965)
Phys. Rev.
, vol.140
, pp. 1133
-
-
Kohn, W.1
Sham, L.J.2
|