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Time dependent density functional theory calculations for the electronic excitations of pyrrole-acrylamide copolymers

✍ Scribed by M. Yurtsever; G. Sönmez; A.S. Saraç


Book ID
117539401
Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
265 KB
Volume
135-136
Category
Article
ISSN
0379-6779

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## Abstract A modified regional self‐interaction correction (mRSIC) method is proposed for obtaining accurate core‐excitation energies in time‐dependent density functional theory (TDDFT) calculations. The mRSIC method is an improvement of the RSIC method (Tsuneda et al. J Comput Chem 2003, 24, 1592