What do the Kohn-Sham orbitals and Eigenvalues mean?

Chemtracts

Volumn 12, Issue 12, 1999, Pages 899-905

  Stowasser, R ^b   Hoffmann, R ^b  

^a QUEEN MARY UNIVERSITY OF LONDON   (United Kingdom)

^b NONE

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; CALCULATION; ELECTRON; ENERGY; INORGANIC CHEMISTRY; PHYSICAL CHEMISTRY; TECHNIQUE;

EID: 0032728217     PISSN: 14319268     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (6)

1. Wittel, K., McGlynn, S.P. Chem. Rev. 1977, 77, 745.
2. Albright, T. A., Burdett, J.K., Whangbo, M.H. Orbital Interactions in Chemistry, Wiley-Interscience: New York, 1985.
3. Atkins, P.W., Friedman, R.S. Molecular Quantum Mechanics, 3rd ed., Oxford University Press: New York, 1997.
4. Simons, J., Nichols, J. Quantum Mechanics in Chemistry, Oxford University Press: New York, 1997.
5. Baerends, E.J., Gritsenko, O.V. J. Phys. Chem. A 1997, 101, 5383.
6. Chermette, H. Coord. Chem. Rev. 1998, 178-180, 699.