Interpretation of ab initio total energy results in a chemical language: I. Formalism and implementation into a mixed-basis pseudopotential code

Journal of Physics Condensed Matter

Volumn 13, Issue 50, 2001, Pages 11541-11550

  Bester, G ^a   Fahnle M ^a  

^a MAX PLANCK INSTITUTE FOR INTELLIGENT SYSTEMS   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CRYSTAL ATOMIC STRUCTURE; HAMILTONIANS; PROBABILITY DENSITY FUNCTION;

ENERGY PARTITIONING SCHEME;

ELECTRONIC STRUCTURE;

EID: 0035905307     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/13/50/313     Document Type: Article

References (27)