Chemical bond modeling with correlation effects included

International Journal of Quantum Chemistry

Volumn 100, Issue 4 SPEC. ISS., 2004, Pages 661-666

  Abarenkov, I V ^a   Smelkov, K V ^a  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

Author keywords

Adiabatic potential; Bond modeling; Embedding; QM MM

Indexed keywords

APPROXIMATION THEORY; CHEMICAL BONDS; COMPUTER SIMULATION; DECOMPOSITION; DEFORMATION; ELECTRONIC STRUCTURE; EMBEDDED SYSTEMS; PROBLEM SOLVING;

ADIABATIC POTENTIAL; BOND MODELING; EMBEDDING; QM/MM;

QUANTUM THEORY;

EID: 7644244132     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20187     Document Type: Conference Paper

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