-
2
-
-
11944256577
-
-
10.1103/RevModPhys.64.1045
-
M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992). 10.1103/RevModPhys.64.1045
-
(1992)
Rev. Mod. Phys.
, vol.64
, pp. 1045
-
-
Payne, M.C.1
Teter, M.P.2
Allan, D.C.3
Arias, T.A.4
Joannopoulos, J.D.5
-
3
-
-
84956246254
-
-
10.1209/0295-5075/19/7/009
-
F. Gygi, Europhys. Lett. 19, 617 (1992). 10.1209/0295-5075/19/7/009
-
(1992)
Europhys. Lett.
, vol.19
, pp. 617
-
-
Gygi, F.1
-
4
-
-
4244217973
-
-
10.1103/PhysRevB.48.11692
-
F. Gygi, Phys. Rev. B 48, 11692 (1993). 10.1103/PhysRevB.48.11692
-
(1993)
Phys. Rev. B
, vol.48
, pp. 11692
-
-
Gygi, F.1
-
5
-
-
0000812184
-
-
10.1103/PhysRevB.51.11190
-
F. Gygi, Phys. Rev. B 51, 11190 (1995). 10.1103/PhysRevB.51.11190
-
(1995)
Phys. Rev. B
, vol.51
, pp. 11190
-
-
Gygi, F.1
-
6
-
-
0000544586
-
-
10.1103/PhysRevB.52.R2229
-
F. Gygi and G. Galli, Phys. Rev. B 52, R2229 (1995). 10.1103/PhysRevB.52. R2229
-
(1995)
Phys. Rev. B
, vol.52
, pp. 2229
-
-
Gygi, F.1
Galli, G.2
-
7
-
-
4243455842
-
-
10.1103/PhysRevB.51.7337
-
D. R. Hamann, Phys. Rev. B 51, 7337 (1995). 10.1103/PhysRevB.51.7337
-
(1995)
Phys. Rev. B
, vol.51
, pp. 7337
-
-
Hamann, D.R.1
-
8
-
-
26744455565
-
-
10.1103/PhysRevB.51.9508
-
D. R. Hamann, Phys. Rev. B 51, 9508 (1995). 10.1103/PhysRevB.51.9508
-
(1995)
Phys. Rev. B
, vol.51
, pp. 9508
-
-
Hamann, D.R.1
-
9
-
-
0000636165
-
-
10.1103/PhysRevB.54.1568
-
D. R. Hamann, Phys. Rev. B 54, 1568 (1996). 10.1103/PhysRevB.54.1568
-
(1996)
Phys. Rev. B
, vol.54
, pp. 1568
-
-
Hamann, D.R.1
-
10
-
-
0035099429
-
-
10.1103/PhysRevB.63.075107
-
D. R. Hamann, Phys. Rev. B 63, 075107 (2001). 10.1103/PhysRevB.63.075107
-
(2001)
Phys. Rev. B
, vol.63
, pp. 075107
-
-
Hamann, D.R.1
-
11
-
-
0030196238
-
Adaptive coordinate, real-space electronic structure calculations on parallel computers
-
DOI 10.1016/S0038-1098(96)80049-4, PII S0038109896002918
-
G. Zumbach, N. A. Modine, and E. Kaxiras, Solid State Commun. 99, 57 (1996). 10.1016/S0038-1098(96)80049-4 (Pubitemid 126408131)
-
(1996)
Solid State Communications
, vol.99
, Issue.2
, pp. 57-61
-
-
Zumbach, G.1
Modine, N.A.2
Kaxiras, E.3
-
13
-
-
0000683658
-
-
10.1103/PhysRevB.49.13373
-
A. Devenyi, K. Cho, T. A. Arias, and J. D. Joannopoulos, Phys. Rev. B 49, 13373 (1994). 10.1103/PhysRevB.49.13373
-
(1994)
Phys. Rev. B
, vol.49
, pp. 13373
-
-
Devenyi, A.1
Cho, K.2
Arias, T.A.3
Joannopoulos, J.D.4
-
16
-
-
26544469264
-
-
10.1103/PhysRevA.52.2778
-
J. M. Pérez-Jord, Phys. Rev. A 52, 2778 (1995). 10.1103/PhysRevA.52.2778
-
(1995)
Phys. Rev. A
, vol.52
, pp. 2778
-
-
Pérez-Jord, J.M.1
-
17
-
-
1542464045
-
-
10.1103/PhysRevB.58.1230
-
J. M. Pérez-Jord, Phys. Rev. B 58, 1230 (1998). 10.1103/PhysRevB.58.1230
-
(1998)
Phys. Rev. B
, vol.58
, pp. 1230
-
-
Pérez-Jord, J.M.1
-
18
-
-
74549139196
-
-
10.1063/1.3291345
-
J. M. Pérez-Jord, J. Chem. Phys. 132, 024110 (2010). 10.1063/1.3291345
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 024110
-
-
Pérez-Jord, J.M.1
-
19
-
-
45149119124
-
-
10.1063/1.2931563
-
J. I. Rodrguez, D. C. Thompson, P. W. Ayers, and A. M. Kster, J. Chem. Phys. 128, 224103 (2008). 10.1063/1.2931563
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 224103
-
-
Rodrguez, J.I.1
Thompson, D.C.2
Ayers, P.W.3
Kster, A.M.4
-
22
-
-
0034336263
-
-
10.1103/RevModPhys.72.1041
-
T. L. Beck, Rev. Mod. Phys. 72, 1041 (2000). 10.1103/RevModPhys.72.1041
-
(2000)
Rev. Mod. Phys.
, vol.72
, pp. 1041
-
-
Beck, T.L.1
-
23
-
-
0001237676
-
-
10.1016/S0097-8485(99)00023-6
-
T. E. Simos and P. S. Williams, Comput. Chem. 23, 513 (1999). 10.1016/S0097-8485(99)00023-6
-
(1999)
Comput. Chem.
, vol.23
, pp. 513
-
-
Simos, T.E.1
Williams, P.S.2
-
24
-
-
0035276148
-
Finite-element methods in electronic-structure theory
-
DOI 10.1016/S0010-4655(00)00212-5
-
J. E. Pask, B. M. Klein, P. A. Sterne, and C. Y. Fong, Comput. Phys. Commun. 135, 1 (2001). 10.1016/S0010-4655(00)00212-5 (Pubitemid 32265279)
-
(2001)
Computer Physics Communications
, vol.135
, Issue.1
, pp. 1-34
-
-
Pask, J.E.1
Klein, B.M.2
Sterne, P.A.3
Fong, C.Y.4
-
26
-
-
84968470212
-
-
10.1090/S0025-5718-1965-0178586-1
-
J. W. Cooley and J. W. Tukey, Math. Comput. 19, 297 (1965). 10.1090/S0025-5718-1965-0178586-1
-
(1965)
Math. Comput.
, vol.19
, pp. 297
-
-
Cooley, J.W.1
Tukey, J.W.2
-
27
-
-
0042113153
-
-
10.1103/PhysRev.140.A1133
-
W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140.A1133
-
(1965)
Phys. Rev.
, vol.140
, pp. 1133
-
-
Kohn, W.1
Sham, L.J.2
-
28
-
-
0004107550
-
-
5th ed. (Prentice Hall, Upper Saddle River, New Jersey)
-
I. N. Levine, Quantum Chemistry, 5th ed. (Prentice Hall, Upper Saddle River, New Jersey, 2000).
-
(2000)
Quantum Chemistry
-
-
Levine, I.N.1
-
29
-
-
0003706460
-
-
(Society for Industrial and Applied Mathematics, Philadelphia, PA), 3rd ed., ISBN 0-89871-447-8 (paperback)
-
E. Anderson, Z. Bai, C. Bischof, S. Blackford, J. Demmel, J. Dongarra, J. Du Croz, A. Greenbaum, S. Hammarling, A. McKenney, and D. Sorensen, LAPACK Users' Guide (Society for Industrial and Applied Mathematics, Philadelphia, PA, 1999), 3rd ed., ISBN 0-89871-447-8 (paperback).
-
(1999)
LAPACK Users' Guide
-
-
Anderson, E.1
Bai, Z.2
Bischof, C.3
Blackford, S.4
Demmel, J.5
Dongarra, J.6
Du Croz, J.7
Greenbaum, A.8
Hammarling, S.9
McKenney, A.10
Sorensen, D.11
-
30
-
-
36849119882
-
-
10.1063/1.1696302
-
H. Wind, J. Chem. Phys. 42, 2371 (1965). 10.1063/1.1696302
-
(1965)
J. Chem. Phys.
, vol.42
, pp. 2371
-
-
Wind, H.1
|