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Towards an interaction theory for large molecules

✍ Scribed by James R. Rabinowitz; T. J. Swissler; Robert Rein

Book ID
104578248
Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
427 KB
Volume
6
Category
Article
ISSN
0020-7608

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A computational scheme is proposed for ab initio calculations of electronic spectra of molecular systems. The scheme is firmly based on the different effects that determine the excitation energies and properties of the excited states. It aims to be accurate to better than 0.5 eV for excitation energ