Useful lower limits to polarization contributions to intermolecular interactions using a minimal basis of localized orthogonal orbitals: Theory and analysis of the water dimer

Journal of Chemical Physics

Volumn 138, Issue 8, 2013, Pages

  Azar, R Julian ^a,b   Horn, Paul Richard ^a,b   Sundstrom, Eric Jon ^a,b   Head Gordon, Martin ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b Chemical Sciences Division   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ENERGY DECOMPOSITION ANALYSIS; INTERACTING MOLECULES; INTERMOLECULAR INTERACTIONS; LOCALIZED MOLECULAR ORBITALS; NUMERICAL CALCULATION; POLARIZATION FUNCTIONS; SECOND ORDER PERTURBATION THEORY; SELF-CONSISTENT FIELD;

DENSITY FUNCTIONAL THEORY; DIMERS; MOLECULAR ORBITALS;

POLARIZATION;

EID: 84874896816     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4792434     Document Type: Article

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