Self-consistent polarization neglect of diatomic differential overlap: Application to water clusters

Journal of Chemical Physics

Volumn 128, Issue 16, 2008, Pages

  Chang, Daniel T ^a,b   Schenter, Gregory K ^a   Garrett, Bruce C ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b U S ENVIRONMENTAL PROTECTION AGENCY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIATOMIC DIFFERENTIAL OVERLAP (NDDO); MOLECULAR DISPERSION; SEMIEMPIRICAL SELF-CONSISTENT FIELD (SCF);

BINDING ENERGY; CHEMICAL BONDS; ELECTROSTATICS; LIGHT POLARIZATION; MOLECULAR DYNAMICS; VIBRATIONAL SPECTRA;

ATOMIC PHYSICS;

EID: 42949157233     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2905230     Document Type: Article

References (80)