Hartree-Fock study of the chemical bonding in crystalline titanium oxides: TiO2, Ti2O3, TiO

Physica Status Solidi (B) Basic Research

Volumn 203, Issue 1, 1997, Pages

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

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0041104398     PISSN: 03701972     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3951(199709)203:13.0.CO;2-8     Document Type: Article

References (10)

1. P. LÖWDIN, Adv. Quant. Chem. 5, 185 (1970)
2. K.B. WIBERG, Tetrahedron 24, 1083 (1968)
3. D.R. ARMSTRONG, P.G. PERKINS, and J.J.P. STEWART, J. Chem. Soc. Dalton Trans. 838 (1973)
4. R.A. EVARESTOV and V.A. VERYAZOV, Theor. Chim. Acta 81, 95 (1991)
5. J. CHOISNET, R.A. EVARESTOV, I.I. TUPITSYN, and V.A. VERYAZOV, J. Phys. Chem. Solids 57, 1839 (1996)
6. I.S. DMITRIEV and S.G. SEMENOV in: Quantum Chemistry: Past and Present, Atomizdat, Moskow, 1980 (in Russian)
7. R. DOVESI, V.R. SAUNDERS, C. ROETTI, M. CAUSA, N.M. HARRISON, R. ORLANDO, and E. APRA, Crystal 95 manual.
8. P. JACOBS, R.A. EVARESTOV, and A.V. LEKO, Phys. Rev. B 54, 8969 (1996)
9. B. SILVI, N. FOWATI, N. NODA, and C.R.A. COTTON, J. Chem. Phys. Solids . 52, 1005 (1991)
10. K. JUG, E. FASOLD, and M.S. GOPINATHAN, J. Computational Chemistry 10, 965 (1989)