Local characteristics of crystal electronic structure in the Hartree-Fock method

Physics of the Solid State

Volumn 41, Issue 8, 1999, Pages 1286-1290

  Veryazov, V A ^a   Leko, A V ^a   Evarestov R A ^a  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0033244020     PISSN: 10637834     EISSN: None     Source Type: Journal    
DOI: 10.1134/1.1130983     Document Type: Article

References (22)

1. Quantum-Mechanical ab initio Calculations of the Properties of Crystalline Materials, edited by C. Pisani, Lecture Notes in Chemistry, Vol. 67 (Springer, Berlin, 1996).
2. M. I. Petrashen', N. N. Kristoffel, and I. V. Abarenkov, Vestnik LGU No. 10, 5 (1963).
3. S. G. Semenov, Vestnik LGU No. 16, 119 (1973).
4. I. Mayer, Int. J. Quantum Chem. 29, 73 (1986).
5. R. A. Evarestov and V. A. Veryazov, Rev. Solid State Sci. 5, 415 (1991).
6. R. C. Bochicchio and H. F. Reale, J. Phys. B 26, 4871 (1993).
7. R. A. Evarestov and V. P. Smirnov, J. Phys.: Condens. Matter 9, 3023 (1997).
8. M. D. Segall, R. Shah, C. J. Pickard, and M. C. Payne, Phys. Rev. B 54, 16317 (1996).
9. R. A. Evarestov and V. P. Smirnov, Phys. Status Solidi B 119, 9 (1983).
10. R. S. Mulliken, J. Chem. Phys. 23, 1833 (1955).
11. P. Löwdin, Adv. Quantum Chem. 5, 185 (1970).
12. K. B. Wiberg, Tetrahedron 24, 1083 (1968).
13. R. A. Evarestov and V. A. Veryazov, Theor. Chim. Acta 81, 95 (1991).
14. S. Moehr and H. Müller-Buschbaum, Z. Anorg. Allg. Chem. 620, 1175 (1994).
15. C. E. Rice and W. R. Robinson, J. Solid State Chem. 21, 145 (1977).
16. B. Silvi, N. Fowati, N. Noda, and C. R. A. Cotton, J. Phys. Chem. Solids 52, 1005 (1991).
17. M. Catti, G. Sandrone, and R. Dovesi, Phys. Rev. B 55, 16122 (1997).
18. L. F. Mattheiss, J. Phys.: Condens. Matter 8, 5987 (1996).
19. R. Dovesi, V. R. Saunders, C. Roetti, M. Causà, N. M. Harrison, R. Orlando, and E. Aprà, Crystal-95 Manual (Torino, 1996).
20. R. A. Evarestov, A. V. Leko, and V. A. Veryazov, Phys. Status Solidi B 210, R3 (1998).
21. R. A. Evarestov, A. V. Leko, and V. A. Veryazov, Phys. Status Solidi B 203, R3 (1997).
22. R. Ponec, M. Krack, and K. Jug, Theor. Chim. Acta 93, 165 (1996).