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Time-Dependent Density Functional Study of the Electronic Excited States of Polycyclic Aromatic Hydrocarbon Radical Ions

✍ Scribed by Hirata, So; Head-Gordon, Martin; Szczepanski, Jan; Vala, Martin

Book ID: 127104363
Publisher: American Chemical Society
Year: 2003
Tongue: English
Weight: 133 KB
Volume: 107
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp0301913

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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