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Integral transport theory for test particles in the presence of a time-dependent conservative force

โœ Scribed by V. C. Boffi; T. Nonnenmacher


Publisher
Springer
Year
1984
Tongue
English
Weight
472 KB
Volume
35
Category
Article
ISSN
0044-2275

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Electronic Excitations in Pyrrole: A Tes
โœ Chang-Guo Zhan; David A. Dixon ๐Ÿ“‚ Article ๐Ÿ“… 2002 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 168 KB

Time-dependent density functional theory (TD-DFT) and single-excitation configuration interaction (CIS) calculations on the electronic excitations in pyrrole have been performed to examine the reliability of these first-principles electronic structure methods in predicting electronic excitation spec