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Reduction of the CI dimension based on the use of local orbitals: Application to conjugated systems and excited states

โœ Scribed by J. Pitarch-Ruiz; C. J. Calzado; S. Evangelisti; D. Maynau


Book ID
118286202
Publisher
John Wiley and Sons
Year
2005
Tongue
English
Weight
380 KB
Volume
106
Category
Article
ISSN
0020-7608

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๐Ÿ“œ SIMILAR VOLUMES


Calculation of excited singlet and tripl
โœ H. Meyer; K.-W. Schulte; A. Schweig ๐Ÿ“‚ Article ๐Ÿ“… 1975 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 466 KB

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