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Analytic Calculations of Vibrational Hyperpolarizabilities in the Atomic Orbital Basis

✍ Scribed by Thorvaldsen, Andreas J.; Ruud, Kenneth; Jaszuński, Michał


Book ID
127032237
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
116 KB
Volume
112
Category
Article
ISSN
1089-5639

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## Abstract The performance of Atomic Natural Orbital (ANO) basis sets for calculations involving nonempirical core pseudopotentials has been studied by comparing the results for atomic and molecular nitrogen obtained using contracted ANO basis sets with those obtained using both the primitive set