Unified view on multiconfigurational time propagation for systems consisting of identical particles

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

Research output: Contribution to journalArticlepeer-review

Abstract

We show that the successful and formally exact multiconfigurational time-dependent Hartree method (MCTDH) takes on a unified and compact form when specified for systems of identical particles (MCTDHF for fermions MCTDHB for bosons). In particular the equations of motion for the orbitals depend explicitly and solely on the reduced one- and two-body density matrices of the system's many-particle wave function. We point out that this appealing representation of the equations of motion opens up further possibilities for approximate propagation schemes.

Original languageEnglish
Article number154103
JournalJournal of Chemical Physics
Volume127
Issue number15
DOIs
StatePublished - 2007
Externally publishedYes

Bibliographical note

Funding Information:
This paper is dedicated to Professor Hans-Dieter Meyer on the occasion of his 60th birthday. Financial support by the Deutsche Forschungsgemeinschaft is gratefully acknowledged.

ASJC Scopus subject areas

  • Physics and Astronomy (all)
  • Physical and Theoretical Chemistry

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