Reduction of the virtual space for coupled-cluster excitation energies of large molecules and embedded systems

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Send , R , Kaila , V R I & Sundholm , D 2011 , ' Reduction of the virtual space for coupled-cluster excitation energies of large molecules and embedded systems ' , Journal of Chemical Physics , vol. 134 , no. 21 , pp. 214114 . https://doi.org/10.1063/1.3596729

Title: Reduction of the virtual space for coupled-cluster excitation energies of large molecules and embedded systems
Author: Send, Robert; Kaila, Ville R. I.; Sundholm, Dage
Contributor: University of Helsinki, Department of Chemistry
University of Helsinki, Department of Chemistry
Date: 2011
Language: eng
Number of pages: 9
Belongs to series: Journal of Chemical Physics
ISSN: 0021-9606
URI: http://hdl.handle.net/10138/27396
Subject: GAUSSIAN-BASIS SETS
ZETA-VALENCE QUALITY
EXCITED-STATES
CORRELATED CALCULATIONS
IDENTITY APPROXIMATION
VISUAL EXCITATION
ORBITAL SPACE
FROZEN CORE
MODEL CC2
DENSITY
114 Physical sciences
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