Generalized virial partitions and the one-particle density matrix

Journal of Molecular Structure: THEOCHEM

Volumn 501-502, Issue , 2000, Pages 115-123

  Mujica, V ^a   Squitieri, E ^a   Nieto, P ^a  

^a UNIVERSIDAD CENTRAL DE VENEZUELA   (Venezuela)

Author keywords

Generalized virial partitions; One particle density matrix; P(1,1'); (1)

Indexed keywords

ARTICLE; CHEMICAL STRUCTURE; DENSITY; ELECTRON; ENERGY; MATHEMATICAL MODEL; PARTITION COEFFICIENT;

EID: 18844476027     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00420-0     Document Type: Article

References (22)

1. Bader R.F. Atoms in Molecules. A Quantum Theory. 1990;Clarendon Press, Oxford, UK.
2. Mazziotti A., Parr R.G., Simons G. J. Chem. Phys. 59:1973;939.
3. Courant R., Hilbert D. Methods of Mathematical Physics. 1962;Interscience, New York.
4. Gelfand I.M., Fomin S.V. Calculus of Variations. 1963;Prentice-Hall, Englewood Cliffs, NJ.
5. García-Sucre M., Mujica V. Int. J. Quantum Chem. S24:1990;375.
6. Mujica V., García-Sucre M., Aray Y. J. Mol. Struct. (Theochem). 254:1992;125.
7. Nagy Á., Parr R.G. Phys. Rev. A. 42:1990;201.
8. Nagy Á. Phys. Rev. A. 46:1992;5417.
9. Löwdin P.O. J. Mol. Spectrosc. 3:1959;46.
10. Löwdin P.O. Phys. Rev. 97:1955;1474.
11. Löwdin P.O. Rev. Mod. Phys. 34:1962;520.
12. Merzbacher E. Quantum Mechanics. 2 :1970;Wiley, New York.
13. Levine I. Quantum Chemistry. 4 :1991;Prentice Hall, Englewood Cliffs, NJ.
14. Arfken G. Métodos Matemáticos Para Físicos. 1981;Editorial Diana, Mexico.
15. Hurley A.C. Introduction to the Electron Theory of Small Molecules. 1976;Academic Press, London.
16. Cioslowski J. Int. J. Quantum Chem. 37:1990;291.
17. Teller E., Sahlin H.L. Physical Chemistry - An Advanced Treatise. 1970;Academic Press, New York.
18. A. Acevedo, E. Squitieri, P. Nieto, V. Mujica, unpublished work.
19. Levy M., Gürling A. Phys. Rev. A. 52:1995;R1808.
20. Sle P., Gritsenko O., Nagy A., Baerends E.J. J. Chem. Phys. 103:1995;10085.
21. Sabin A. Phys. Rev. A. 52:1995;R1805.
22. Kryachko E.S., Ludeña E.V. Energy Density Functional Theory of Many-Electron Systems. 1990;Kluwer Academic, Dordrecht.