Hybrid correlation models based on active-space partitioning: Seeking accurate script O sign(N 5) ab initio methods for bond breaking

Journal of Chemical Physics

Volumn 125, Issue 5, 2006, Pages

  Bochevarov, Arteum D ^a   Temelso, Berhane ^a   Sherrill, C David ^a  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHODS; ACTIVE-SPACE PARTITIONING; HYBRID METHOD; MØLLER-PLESSET SECOND-ORDER (MP2);

CHEMICAL BONDS; CORRELATION METHODS; DISSOCIATION; ELECTRONIC STRUCTURE; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; SPECTROSCOPIC ANALYSIS;

MOLECULAR DYNAMICS;

EID: 33746894721     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2222350     Document Type: Article

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