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

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

doi:10.1063/1.2771159

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

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

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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 language	English
Article number	154103
Journal	Journal of Chemical Physics
Volume	127
Issue number	15
DOIs	https://doi.org/10.1063/1.2771159
State	Published - 2007
Externally published	Yes

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

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.2771159

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AU - Cederbaum, Lorenz S.

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AB - 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.

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

Abstract

Bibliographical note

ASJC Scopus subject areas

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