Unified view on linear response of interacting identical and distinguishable particles from multiconfigurational time-dependent Hartree methods

Ofir E. Alon; Alexej I. Streltsov; Lorenz S. Cederbaum

doi:10.1063/1.4860970

Unified view on linear response of interacting identical and distinguishable particles from multiconfigurational time-dependent Hartree methods

Ofir E. Alon, Alexej I. Streltsov, Lorenz S. Cederbaum

Department of Mathematics

Research output: Contribution to journal › Article › peer-review

Abstract

A unified view on linear response of interacting systems utilizing multiconfigurational time-dependent Hartree methods is presented. The cases of one-particle and two-particle response operators for identical particles and up to all-system response operators for distinguishable degrees-of-freedom are considered. The working equations for systems of identical bosons and identical fermions, as well for systems of distinguishable particles are explicitly derived. These linear-response theories - applicable for discrete excitation spectra - provide numerically exact excitation energies and system's properties, when numerical convergence is achieved in the calculations.

Original language	English
Article number	034108
Number of pages	22
Journal	Journal of Chemical Physics
Volume	140
Issue number	3
DOIs	https://doi.org/10.1063/1.4860970
State	Published - 21 Jan 2014

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.4860970

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AB - A unified view on linear response of interacting systems utilizing multiconfigurational time-dependent Hartree methods is presented. The cases of one-particle and two-particle response operators for identical particles and up to all-system response operators for distinguishable degrees-of-freedom are considered. The working equations for systems of identical bosons and identical fermions, as well for systems of distinguishable particles are explicitly derived. These linear-response theories - applicable for discrete excitation spectra - provide numerically exact excitation energies and system's properties, when numerical convergence is achieved in the calculations.

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Unified view on linear response of interacting identical and distinguishable particles from multiconfigurational time-dependent Hartree methods

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