Using the Green' s function method, the effect of the error in the calculated normalization for the band wave function on the results of self-consistent calculations is investigated. The sensitivity of self-consistently calculated conduction-band parameters to the approximate estimation of the normalized integral is shown to be slight. The investigati on is carried out for metallic lithium in the approximation of a frozen atomic core. The exchange potential is chosen according to Kon and Shen.
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N. Elyashar and D. D. Koelling, Phys. Rev.,15B, 3620 (1977).
L. L. Boyer, D. A. Papaconstantopoulos, and B. M. Klein, Phys. Rev.,15B, 3681 (1977).
W. E. Rudge, Phys. Rev.,181, 1024 (1969).
F. S. Ham and B. Segall, Phys. Rev.,124, 1786 (1961).
V. V. Dyakin, R. F. Egotov, and V. P. Shirokovskii, Phys. Status Solidi,36, 447 (1969).
V. V. Dyakin, R. F. Egorov, Z. V. Kulakova, and V. P. Shirokovskii, Fiz. Mekh. Mater.,32, 691 (1971).
B. Segall and F. S. Ham, Methods. Comput.,8, 251 (1968).
N. A. Shilkova, V. P. Shirokovskii, and G. V. Ganin, Fiz. Mekh. Mater.,43, 665 (1977).
A. I. Nazhalov, V. E. Egorushkin, V. A. Popov, and V. P. Fadin, Paper No. 2825-34 Deposited at VINITI.
E. Clementi and C. Roetti, Atomic Data and Nuclear Data Tables,14, 177 (1974).
O. Jepson and D. K. Anderson, Solid-State Commun.,9, 1763 (1971).
Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 11, pp. 108–111, November, 1979.
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Popov, V.A., Fadin, V.P. Self-consistent Green's-function method I. Approximate approach to normalizing the crystal wave function. Soviet Physics Journal 22, 1213–1216 (1979). https://doi.org/10.1007/BF00894976
- Wave Function
- Function Method
- Exchange Potential
- Approximate Estimation