A pseudoatom approach to molecular truncation: Application in ab initio MBPT methods

Journal of Physical Chemistry A

Volumn 110, Issue 19, 2006, Pages 6279-6284

  Taylor, Decarlos E ^a   Bunte, Steven W ^a   Runge, Keith ^b  

^a U S ARMY RESEARCH LABORATORY   (United States)

^b University of Florida   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DEPROTONATION ENERGIES; LONG-RANGE COULOMB EFFECTS; MBPT METHODS; MOLECULAR TRUNCATIONS;

ATOMS; COMPUTATION THEORY; COMPUTATIONAL GEOMETRY; MOLECULAR STRUCTURE;

PHYSICAL CHEMISTRY;

EID: 33745472375     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp055149h     Document Type: Article

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