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Working equation of LR-TD-DFT First-order polarization propagator approximation
  • Jacob Pedersen,
  • Kurt Mikkelsen
Jacob Pedersen
University of Copenhagen
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Kurt Mikkelsen
University of Copenhagen
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Abstract

We present the derivation of a new response method termed rst order po- larization propagator approximation. The electronic structure is given by a density functional representation. We provide a detailed derivation of the method along with explicit expressions for the relevant integrals and matrix elements.

Peer review status:IN REVISION

02 Apr 2021Submitted to International Journal of Quantum Chemistry
03 Apr 2021Assigned to Editor
03 Apr 2021Submission Checks Completed
12 Apr 2021Reviewer(s) Assigned
28 Apr 2021Review(s) Completed, Editorial Evaluation Pending
19 May 2021Editorial Decision: Revise Major