Overlap repulsion with Löwdin's pairing theorem II. The leading term

International Journal of Quantum Chemistry

Volumn 82, Issue 3, 2001, Pages 105-112

  Hamza, A ^a   Mayer, I ^a  

^a CHEMICAL RESEARCH CENTER   (Hungary)

Author keywords

Energy decomposition; Hydrogen bonding; Intermolecular interactions; L wdin's pairing theorem; Overlap repulsion; Pairing theorem

Indexed keywords

ELECTRON ENERGY LEVELS; HYDROGEN BONDS; MOLECULES; NUMERICAL METHODS; PROTONS;

INTERACTING ORBITALS; INTERMOLECULAR OVERLAP EFFECTS; LOWDIN'S PAIRING THEOREM; OVERLAP REPULSION;

MOLECULAR DYNAMICS;

EID: 0035809631     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/1097-461X(2001)82:3<105::AID-QUA1016>3.0.CO;2-S     Document Type: Article

References (10)

1. HONDO-8