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Prediction of Two-Photon Absorption Properties for Organic Chromophores Using Time-Dependent Density-Functional Theory

✍ Scribed by Masunov, Artëm; Tretiak, Sergei


Book ID
121222135
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
151 KB
Volume
108
Category
Article
ISSN
0022-3654

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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