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Theoretical studies on the ground states in (M = Fe, Ru, Os) and excited states in using density functional theory

✍ Scribed by Xin Zhou; Ai-Min Ren; Ji-Kang Feng

Book ID
108187946
Publisher
Elsevier Science
Year
2005
Tongue
English
Weight
420 KB
Volume
690
Category
Article
ISSN
0022-328X

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## Abstract Spectroscopic constants of the ground and next seven low‐lying excited states of diatomic molecules CO, N~2~, P~2~, and ScF were computed using the density functional theory SAOP/ATZP model, in conjunction with time‐dependent density functional theory (TD‐DFT) and a recently developed S