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Theory and algorithms for the excited states of large molecules and molecular aggregates

✍ Scribed by WanZhen Liang, Wei Wu

Book ID
120796938
Publisher
SP Science China Press
Year
2013
Tongue
English
Weight
392 KB
Volume
56
Category
Article
ISSN
1674-7291

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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