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Time-Dependent Density Functional Theory Investigation of Electronic Excited States of Tetraoxaporphyrin Dication and Porphycene

✍ Scribed by Wan, Jian; Ren, Yanliang; Wu, Jianming; Xu, Xin


Book ID
127324758
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
199 KB
Volume
108
Category
Article
ISSN
1089-5639

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## Abstract A large number of scalar as well as spinor excited states of OsO~4~, in the experimentally accessible energy range of 3–11 eV, have been captured by time‐dependent relativistic density functional linear response theory based on an exact two‐component Hamiltonian resulting from the symme