Toward a BSSE-free description of strongly interacting systems

International Journal of Quantum Chemistry

Volumn 89, Issue 4, 2002, Pages 190-197

  Halasz G J ^a   Vibok A ^a   Suhai, S ^a   Mayer, I ^a  

^a UNIVERSITY OF DEBRECEN   (Hungary)

Author keywords

Basis set superposition error (BSSE); BSSE free SCF theory; Chemical Hamiltonian approach (CHA); Covalent and ionic bonds

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; HAMILTONIANS; INERT GASES; MATHEMATICAL MODELS; MOLECULES; POTENTIAL ENERGY; PROTONS; SURFACE REACTIONS;

BASIS SET SUPERPOSITION ERROR; CHEMICAL HAMILTONIAN APPROACH; COUNTERPOISE CORRECTION METHOD; COVALENT INTERACTIONS; INTERACTING SYSTEMS; IONIC INTERACTIONS;

MOLECULAR DYNAMICS;

EID: 0037026446     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10286     Document Type: Article

References (18)