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Application of time-dependent density-functional theory to the dielectric function of various nonmetallic crystals

✍ Scribed by Kootstra, F.; de Boeij, P. L.; Snijders, J. G.


Book ID
117988590
Publisher
The American Physical Society
Year
2000
Tongue
English
Weight
171 KB
Volume
62
Category
Article
ISSN
1098-0121

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Application of the dressed time-dependen
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## Abstract Dressed Time‐Dependent Density Functional Theory (Maitra et al., J Chem Phys 2004, 120, 5932) is applied to selected linear polyenes. Limits of validity of the approximation are briefly discussed. The implementation strategy is described. Results for the 2^1^__B__~__u__~ and 2^1^__A__~_