A priori calculation of molecular properties to chemical accuracy

Journal of Physical Organic Chemistry

Volumn 17, Issue 11, 2004, Pages 913-933

  Helgaker, Trygve ^a   Ruden, Torgeir A ^a   Jørgensen, Poul ^b   Olsen, Jeppe ^b   Klopper, Wim ^c  

^a UNIVERSITY OF OSLO   (Norway)

^b AARHUS UNIVERSITY   (Denmark)

^c UNIVERSITY OF KARLSRUHE   (Germany)

Author keywords

Accurate calculations; Basis set convergence; Coupled cluster theory; Electron correlation; Molecular properties; Quantum chemistry

Indexed keywords

ATOMIZATION; CHEMICAL BONDS; ELECTRONIC STRUCTURE; MATHEMATICAL MODELS; ORBITS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

COUPLED-CLUSTER THEORY; ELECTRON CORRELATION; MOLECULAR PROPERTIES; QUANTUM CHEMISTRY;

MOLECULAR STRUCTURE;

EID: 8344278758     PISSN: 08943230     EISSN: None     Source Type: Journal    
DOI: 10.1002/poc.841     Document Type: Conference Paper

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