Excitation energies of some d1systems calculated using time-dependent density functional theory: an implementation of open-shell TDDFT theory for doublet–doublet excitations-Reference-Cited by-同舟云学术

Excitation energies of some d1systems calculated using time-dependent density functional theory: an implementation of open-shell TDDFT theory for doublet–doublet excitations

Published:2004-12-10 Issue:23-24 Volume:102 Page:2585-2595
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Wang Fan,Ziegler * Tom

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

http://www.tandfonline.com/doi/pdf/10.1080/0026897042000275080

Reference40 articles.

1. Density-Functional Theory for Time-Dependent Systems

2. Casida ME 1995Recent Advances in Density Functional Methodsedited by D. P. Chong SingaporeWorld Scientificpp. 155–192

3. Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory

4. Dynamic polarizabilities and excitation spectra from a molecular implementation of time‐dependent density‐functional response theory: N2as a case study

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