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Excitation energies from an auxiliary-function formulation of time-dependent density-functional response theory with charge conservation constraint

  • Published:2006-04 Issue:1-3 Volume:762 Page:179-191
  • ISSN:0166-1280
  • Container-title:Journal of Molecular Structure: THEOCHEM
  • language:en
  • Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

Ipatov Andrei,Fouqueau Antony,Valle Carlos Perez del,Cordova Felipe,Casida Mark E.,Köster Andreas M.,Vela Alberto,Jamorski Christine Jödicke

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference76 articles.

1. Term proposed by the late Jan Almlöf.

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

3. Recent Developments and Applications of Modern Density Functional Theory;Casida,1996

4. S.F. Boys, I. Shavitt, University of Wisconsin, Report WIS-AF-13, 1959.

5. Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure

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