Linear response properties of liquid water calculated using CC2 and CCSD within different molecular mechanics methods

Journal of Physical Chemistry A

Volumn 108, Issue 41, 2004, Pages 8646-8658

  Osted, Anders ^a,b   Kongsted, Jacob ^a,b   Mikkelsen, Kurt V ^a,b   Christiansen, Ove ^a,b  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

^b AARHUS UNIVERSITY   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; HYDROGEN BONDS; MATHEMATICAL MODELS; QUANTUM THEORY; SOLVENTS; WATER;

COUPLED CLUSTER SINGLES AND DOUBLES (CCSD); EXCITATION ENERGY; ISOTROPIC POLARIZABILITY; LIQUID WATER;

MOLECULAR DYNAMICS;

EID: 84962360805     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp048910g     Document Type: Article

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