Orthogonal effective atomic orbitals in the topological theory of atoms

Canadian Journal of Chemistry

Volumn 74, Issue 6, 1996, Pages 939-942

  Mayer, I ^a  

^a CTRL RES INSTITUTE FOR CHEMISTRY   (Hungary)

Author keywords

Atomic orbitals from molecular wave functions; Bader's theory of atoms in molecules; Effective atomic orbitals; Non orthogonal localized orbitals; Topological theory of atoms

Indexed keywords

CHEMICAL BONDS; ELECTRONIC STRUCTURE; FUNCTIONS; MOLECULAR DYNAMICS; MOLECULES; TOPOLOGY;

ATOMIC DOMAIN; ATOMIC ORBITALS; BADER'S THEORY OF ATOMS IN MOLECULES; HARTREE-FOCK LIMIT; MOLECULAR WAVE FUNCTIONS; NON ORTHOGONAL LOCALIZED ORBITALS;

ATOMS;

EID: 0030169526     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/v96-103     Document Type: Article

References (6)

1. R.F.W. Bader and T.T. Nguyen-Dang. Adv. Quantum Chem. 14, 63 (1981).
2. I. Mayer. Chem. Phys. Lett. 242, 499 (1995).
3. J.G. Angyán, M. Loos, and I. Mayer. J. Phys. Chem. 98, 5244 (1994).
4. I. Mayer. Chem. Phys. Lett. 89, 390 (1982).
5. V. Magnasco and A. Perico. J. Chem. Phys. 47, 971 (1967).
6. I. Mayer. J. Mol. Struct. (Theochem), 225, 1 (1992).