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The usefulness of unlinked cluster corrections to double excitation CI calculations: a model calculation

✍ Scribed by Paul J.A. Ruttink


Book ID
107732644
Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
487 KB
Volume
79
Category
Article
ISSN
0009-2614

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Calculation of excited singlet and tripl
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A procedure is outlined for the calculation of molecular static electric polnrizabilities ir! excited singkt 2nd triplet states using the "finite perturbation theory" in conjunction with the CNDO/S CI method. Numerical results for the sound and the three lowest excited singlet and triplet states of