Analytic nuclear gradients of the algebraic-diagrammatic construction scheme for the polarization propagator up to third order of perturbation theory-Reference-Cited by-同舟云学术

Analytic nuclear gradients of the algebraic-diagrammatic construction scheme for the polarization propagator up to third order of perturbation theory

Published:2019-05-07 Issue:17 Volume:150 Page:174110
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Rehn Dirk R.¹^ORCID,Dreuw Andreas¹^ORCID

Affiliation:

1. Interdisciplinary Center for Scientific Computing and Physical-Chemistry Institute, Ruprecht-Karls University, Im Neuenheimer Feld 205, 69120 Heidelberg, Germany

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5085117

Reference65 articles.

1. Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

2. Analytical derivatives, forces, force constants, molecular geometries, and related response properties in electronic structure theory

3. Beyond the random-phase approximation: A new approximation scheme for the polarization propagator

4. The algebraic diagrammatic construction scheme for the polarization propagator for the calculation of excited states

5. A consistent third-order propagator method for electronic excitation

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