Fully automated implementation of the incremental scheme: Application to CCSD energies for hydrocarbons and transition metal compounds

Journal of Chemical Physics

Volumn 126, Issue 15, 2007, Pages

  Friedrich, Joachim ^a   Hanrath, Michael ^a   Dolg, Michael ^a  

^a UNIVERSITY OF COLOGNE   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; HYDROCARBONS; MOLECULAR DYNAMICS; TRANSITION METAL COMPOUNDS;

INCREMENTAL EXPANSION; INCREMENTAL SERIES; MASTER/SLAVE STRUCTURE;

MOLECULAR STRUCTURE;

EID: 34247330993     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2721538     Document Type: Article

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