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

TL;DR

This paper presents a unified linear response framework for interacting particles using multiconfigurational time-dependent Hartree methods, covering identical bosons, fermions, and distinguishable particles, with explicit equations and exact excitation energies.

Contribution

It introduces a comprehensive linear response theory applicable to various particle types within the multiconfigurational time-dependent Hartree framework, with explicit derivations for different systems.

Findings

Provides numerically-exact excitation energies upon convergence.

Derives explicit working equations for multiple particle systems.

Unifies response theories for identical and distinguishable particles.

Abstract

A unified view on linear response of interacting systems utilizing multicongurational 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 (LR-MCTDHB) and identical fermions (LR-MCTDHF), as well for systems of distinguishable particles (LR-MCTDH) are explicitly derived. These linear-response theories provide numerically-exact excitation energies and system's properties, when numerical convergence is achieved in the calculations.