-
5
-
-
33744671412
-
-
Phys. Rev. BP. Ordejón, D. A. Drabold, M. P. Grumbach, and R. M. Martin, 48, 14 646 (1993).
-
(1993)
Phys. Rev. B
, vol.48
, pp. 14646
-
-
Ordejón, P.1
Drabold, D.2
Grumbach, M.3
Martin, R.4
-
9
-
-
0004116685
-
-
Springer, Berlin
-
We use the term “conventional quantum-chemical methods” to denote the approaches that deal with the many-particle wave function of the system rather than with its charge and spin density only. These include configuration interaction, coupled-cluster, projection technique, and the many-body perturbation-theory-based approaches. For a review of these methods and their applications to solid-state theory see, e.g., P. Fulde, in Electron Correlations in Molecules and Solids, 3rd ed., Springer Series in Solid-State Sciences Vol. 100 (Springer, Berlin, 1995).
-
(1995)
Electron Correlations in Molecules and Solids, 3rd ed., Springer Series in Solid-State Sciences Vol. 100
-
-
Fulde, P.1
-
26
-
-
0000983231
-
-
Phys. Rev. BK. Doll, M. Dolg, P. Fulde, and H. Stoll, 52, 4842 (1995).
-
(1995)
Phys. Rev. B
, vol.52
, pp. 4842
-
-
Doll, K.1
Dolg, M.2
Fulde, P.3
Stoll, H.4
-
29
-
-
0001488374
-
-
Phys. Rev. BS. Kalvoda, B. Paulus, P. Fulde, and H. Stoll, 55, 4027 (1997).
-
(1997)
Phys. Rev. B
, vol.55
, pp. 4027
-
-
Kalvoda, S.1
Paulus, B.2
Fulde, P.3
Stoll, H.4
-
31
-
-
0001731579
-
-
K. Doll, M. Dolg, P. Fulde, and H. Stoll, Phys. Rev. B 55, 10 282 (1997).
-
(1997)
Phys. Rev. B
, vol.55
, pp. 10282
-
-
Doll, K.1
Dolg, M.2
Fulde, P.3
Stoll, H.4
-
33
-
-
0030588825
-
-
A. Shukla, M. Dolg, H. Stoll, and P. Fulde, Chem. Phys. Lett. 262, 213 (1996).
-
(1996)
Chem. Phys. Lett.
, vol.262
, pp. 213
-
-
Shukla, A.1
Dolg, M.2
Stoll, H.3
Fulde, P.4
-
34
-
-
0003845930
-
-
Indiana University, Bloomington, IN CRYSTAL92 User Document, University of Torino, Torino, and SERC Daresbury Laboratory, Daresbury, UK (1992)
-
R. Dovesi, C. Pisani, C. Roetti, M. Causa, and V. R. Saunders, CRYSTAL88, Quantum Chemistry Program Exchange, Program No. 577 (Indiana University, Bloomington, IN, 1989);R. Dovesi, V. R. Saunders, and C. Roetti, CRYSTAL92 User Document, University of Torino, Torino, and SERC Daresbury Laboratory, Daresbury, UK (1992).
-
(1989)
CRYSTAL88, Quantum Chemistry Program Exchange, Program No. 577
-
-
Dovesi, R.1
Pisani, C.2
Roetti, C.3
Causa, M.4
Saunders, V.5
Dovesi, R.6
Saunders, V.7
Roetti, C.8
-
36
-
-
0002108194
-
-
Their use in solid-state calculations within the context of Bloch-orbital-based Hartree-Fock calculations was pioneered by Euwema and co-workers. See, for example, R. N. Euwema, D. L. Wilhite, and G. T. Surrat, Phys. Rev. B 7, 818 (1973).
-
(1973)
Phys. Rev. B
, vol.7
, pp. 818
-
-
Euwema, R.1
Wilhite, D.2
Surrat, G.3
-
38
-
-
0001672275
-
-
M. Prencipe, A. Zupan, R. Dovesi, E. Aprá, and V. R. Saunders, Phys. Rev. B 51, 3391 (1995).
-
(1995)
Phys. Rev. B
, vol.51
, pp. 3391
-
-
Prencipe, M.1
Zupan, A.2
Dovesi, R.3
Aprá, E.4
Saunders, V.5
-
39
-
-
0000636090
-
-
R. Dovesi, C. Ermondi, E. Ferrero, C. Pisani, and C. Roetti, Phys. Rev. B 29, 3591 (1984).
-
(1984)
Phys. Rev. B
, vol.29
, pp. 3591
-
-
Dovesi, R.1
Ermondi, C.2
Ferrero, E.3
Pisani, C.4
Roetti, C.5
-
41
-
-
26544431681
-
-
R. N. Euwema, G. G. Wepfer, G. T. Surrat, and D. L. Wilhite, Phys. Rev. B 9, 5249 (1974).
-
(1974)
Phys. Rev. B
, vol.9
, pp. 5249
-
-
Euwema, R.1
Wepfer, G.2
Surrat, G.3
Wilhite, D.4
-
44
-
-
26544435320
-
-
W. A. Reed, P. Eisenberger, F. Martino, and K. F. Berggren, Phys. Rev. Lett. 35, 114 (1975).
-
(1975)
Phys. Rev. Lett.
, vol.35
, pp. 114
-
-
Reed, W.1
Eisenberger, P.2
Martino, F.3
Berggren, K.4
-
45
-
-
0542396627
-
-
K. F. Berggren, F. Martino, P. Eisenberger, and W. A. Reed, Phys. Rev. B 13, 2292 (1976).
-
(1976)
Phys. Rev. B
, vol.13
, pp. 2292
-
-
Berggren, K.1
Martino, F.2
Eisenberger, P.3
Reed, W.4
|