-
4
-
-
0037171091
-
-
Soler JM, Artacho E, Gale JD, Garcia A, Junquera J, Ordejon P, Sanchez-Portal D (2002) J Phys: Condens Matter 14:2745
-
(2002)
J Phys: Condens Matter
, vol.14
, pp. 2745
-
-
Soler, J.M.1
Artacho, E.2
Gale, J.D.3
Garcia, A.4
Junquera, J.5
Ordejon, P.6
Sanchez-Portal, D.7
-
6
-
-
85073159843
-
-
Bock N, Challacombe M, Gan CK, Henkelman G, Nemeth K, Niklasson AMN, Odell A, Schwegler E, Tymczak CJ, Weber V, FREEON (2008) Los Alamos National Laboratory (LA-CC 01-2; LA-CC-04-086) Copyright University of California., URL http://www.nongnu.org/freeon/
-
FREEON (2008) Los Alamos National Laboratory (LA-CC 01-2; LA-CC-04-086) Copyright University of California
-
-
Bock, N.1
Challacombe, M.2
Gan, C.K.3
Henkelman, G.4
Nemeth, K.5
Niklasson, A.M.N.6
Odell, A.7
Schwegler, E.8
Tymczak, C.J.9
Weber, V.10
-
11
-
-
67349285351
-
-
Hine ND, Haynes PD, Mostofi AA, Skylaris C-K, Payne MC (2009) Comput Phys Comm 180:1041
-
(2009)
Comput Phys Comm
, vol.180
, pp. 1041
-
-
Hine, N.D.1
Haynes, P.D.2
Mostofi, A.A.3
Skylaris, C.-K.4
Payne, M.C.5
-
24
-
-
0000877074
-
-
Wang Y, Stocks GM, Shelton WA, Nicholson DMC, Szotek Z, Temmerman WM (1995) Phys Rev Lett 75:2867
-
(1995)
Phys Rev Lett
, vol.75
, pp. 2867
-
-
Wang, Y.1
Stocks, G.M.2
Shelton, W.A.3
Nicholson, D.M.C.4
Szotek, Z.5
Temmerman, W.M.6
-
25
-
-
0001527265
-
-
Abrikosov IA, Niklasson AMN, Simak SI, Johansson B, Ruban AV, Skriver HL (1996) Phys Rev Lett 76:4203
-
(1996)
Phys Rev Lett
, vol.76
, pp. 4203
-
-
Abrikosov, I.A.1
Niklasson, A.M.N.2
Simak, S.I.3
Johansson, B.4
Ruban, A.V.5
Skriver, H.L.6
-
42
-
-
26044461891
-
-
Xiang HJ, Liang WZ, Yang J, Hou JG, Zhu Q (2005) J Chem Phys 123:124105
-
(2005)
J Chem Phys
, vol.123
-
-
Xiang, H.J.1
Liang, W.Z.2
Yang, J.3
Hou, J.G.4
Zhu, Q.5
-
80
-
-
36149021109
-
-
Kohn W (1959) Phys Rev 115:809
-
(1959)
Phys Rev
, vol.115
, pp. 809
-
-
Kohn, W.1
-
97
-
-
12344257593
-
-
Phys Rev B
-
Niklasson AMN (2004) Phys Rev B 70:193102
-
(2004)
Niklasson AMN
, vol.70
-
-
-
104
-
-
0004161838
-
-
Cambridge University Press, Port Chester, NY
-
Press WH, Teukolsky SA, Vetterling WT, Flannery BP (1992) Numerical recipies in FORTRAN. Cambridge University Press, Port Chester, NY
-
(1992)
Numerical Recipies in FORTRAN
-
-
Press, W.H.1
Teukolsky, S.A.2
Vetterling, W.T.3
Flannery, B.P.4
-
106
-
-
0037447290
-
-
Saravanan C, Shao C, Baer R, Ross PN, Head-Gordon M (2003) J Comput Chem 24:618
-
(2003)
J Comput Chem
, vol.24
, pp. 618
-
-
Saravanan, C.1
Shao, C.2
Baer, R.3
Ross, P.N.4
Head-Gordon, M.5
-
109
-
-
1442356516
-
-
Liang WZ, Baer R, Saravanan C, Shao YH, Bell AT, Head-Gordon M (2004) J Comp Phys 194:575
-
(2004)
J Comp Phys
, vol.194
, pp. 575
-
-
Liang, W.Z.1
Baer, R.2
Saravanan, C.3
Shao, Y.H.4
Bell, A.T.5
Head-Gordon, M.6
-
112
-
-
12344329447
-
-
Bergman A, Holmström E, Niklasson AMN, Nordström L, Frota-Pessoa S, Eriksson O (2004) Phys Rev B 70:174446
-
(2004)
Phys Rev B
, vol.70
-
-
Bergman, A.1
Holmström, E.2
Niklasson, A.M.N.3
Nordström, L.4
Frota-Pessoa, S.5
Eriksson, O.6
-
115
-
-
0041880368
-
-
Liang WZ, Saravanan C, Shao Y, Baer R, Bell AT, Head-Gordon M (2003) J Chem Phys 119:4117
-
(2003)
J Chem Phys
, vol.119
, pp. 4117
-
-
Liang, W.Z.1
Saravanan, C.2
Shao, Y.3
Baer, R.4
Bell, A.T.5
Head-Gordon, M.6
-
129
-
-
34247389281
-
-
Coriani S, Host S, Jasnik B, Thogersen L, Olsen J, Jorgensen P, Reine S, Pawlowski F, Helgaker T, Salek P (2007) J Chem Phys 126:154108
-
(2007)
J Chem Phys
, vol.126
-
-
Coriani, S.1
Host, S.2
Jasnik, B.3
Thogersen, L.4
Olsen, J.5
Jorgensen, P.6
Reine, S.7
Pawlowski, F.8
Helgaker, T.9
Salek, P.10
-
136
-
-
85073161273
-
-
Niklasson AMN et al. Unpublished
-
Niklasson AMN et al. Unpublished
-
-
-
-
137
-
-
85102989523
-
-
1st ed. Wiley, New York, NY
-
Helgaker T, Jorgensen P, Olsen J (2002) Molecular electronic-structure theory, 1st ed. Wiley, New York, NY
-
(2002)
Molecular Electronic-Structure Theory
-
-
Helgaker, T.1
Jorgensen, P.2
Olsen, J.3
|