The effect of local approximations in coupled-cluster wave functions on dipole moments and static dipole polarisabilities

Physical Chemistry Chemical Physics

Volumn 6, Issue 9, 2004, Pages 2059-2065

  Korona, Tatiana ^a,b   Pflüger, Klaus ^b   Werner, Hans Joachim ^b  

^a UNIVERSITY OF WARSAW   (Poland)

^b UNIVERSITY OF STUTTGART   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

2 PROPANOL; 4 NITROANILINE; ACETALDEHYDE; ACETONE; ALKANONE; ANILINE; BUTYLAMINE; N METHYLACETAMIDE; N METHYLFORMAMIDE; PROPANE; PROPANOL; PROPIONAMIDE DERIVATIVE; PROPIONIC ACID; PROPYLAMINE;

ARTICLE; CALCULATION; CORRELATION ANALYSIS; DIPOLE; ELECTRON; PHYSICAL CHEMISTRY; POLARIZATION;

EID: 2942520101     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b316709g     Document Type: Article

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59. Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 10/21/03, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, Washington 99352, USA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information.