Energy benchmarks for water clusters and ice structures from an embedded many-body expansion

Journal of Chemical Physics

Volumn 139, Issue 11, 2013, Pages

  Gillan, M J ^a   Alfe D ^a   Bygrave, P J ^b,c   Taylor, C R ^b   Manby, F R ^b  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b UNIVERSITY OF BRISTOL   (United Kingdom)

^c UNIVERSITY OF SOUTHAMPTON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLETE BASIS SET LIMIT; COUPLED-CLUSTER METHODS; EXPERIMENTAL VALUES; HARTREE-FOCK ENERGIES; MANY-BODY CORRELATIONS; MOLECULAR QUANTUM CHEMISTRY; RELATIVE BINDING ENERGIES; WAVE-FUNCTION BASED METHODS;

CALCULATIONS; DIMERS; MOLECULAR PHYSICS; MONOMERS; NUMERICAL METHODS; QUANTUM CHEMISTRY;

ICE;

EID: 84903362355     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4820906     Document Type: Article

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