Natural triple excitations in local coupled cluster calculations with pair natural orbitals

Journal of Chemical Physics

Volumn 139, Issue 13, 2013, Pages

  Riplinger, Christoph ^a,b   Sandhoefer, Barbara ^a,c   Hansen, Andreas ^a,d   Neese, Frank ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL ENERGY CONVERSION   (Germany)

^b Princeton University   (United States)

^c PRINCETON UNIVERSITY   (United States)

^d UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER ANALYSIS; EXTRAPOLATION; FUNCTIONS; NUMERICAL METHODS;

ASYMPTOTICALLY LINEAR; COMPUTATIONAL EFFORT; CONNECTED TRIPLES; COUPLED-CLUSTER CALCULATIONS; EXTRAPOLATION PROCEDURE; ORGANIC MOLECULES; RELATIVE ENERGIES; VERY LARGE SYSTEMS;

ORBITAL CALCULATIONS;

EID: 84903362650     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4821834     Document Type: Article

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