Approximate ab initio energies by systematic molecular fragmentation

Journal of Chemical Physics

Volumn 122, Issue 15, 2005, Pages

  Deev, Vitali ^a   Collins, Michael A ^a  

^a AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO THEORY; COMPUTATIONAL COST; ELECTRONIC ENERGIES; MOLECULAR FRAGMENTATION;

APPROXIMATION THEORY; COMPUTATIONAL METHODS; ELECTRONIC STRUCTURE; ERROR ANALYSIS; HYDROGEN; MOLECULAR ORIENTATION; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION;

ELECTRON ENERGY LEVELS;

EID: 20844451510     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1879792     Document Type: Article

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