Time-Dependent Density Functional Theory for Open Quantum Systems with Unitary Propagation

2009/02/28 by Joel Yuen-Zhou, David G. Tempel, César A. Rodríguez-Rosario +3 · 3 citations
Physics and Astronomy · #Advanced Chemical Physics Studies #Cold Atom Physics and Bose-Einstein Condensates #Spectroscopy and Quantum Chemical Studies #cond-mat.mtrl-sci #physics.chem-ph #quant-ph

paper · pdf · doi:10.1103/physrevlett.104.043001

published as Phys. Rev. Lett. 104, 043001 (2010) · 5 pages

arxiv created 2009/11/10 · openalex publication_date 2010/01/25 · arxiv updated 2011/02/09 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

We extend the Runge-Gross theorem for a very general class of open quantum systems under weak assumptions about the nature of the bath and its coupling to the system. We show that for Kohn-Sham (KS) time-dependent density functional theory, it is possible to rigorously include the effects of the environment within a bath functional in the KS potential. A Markovian bath functional inspired by the theory of nonlinear Schrödinger equations is suggested, which can be readily implemented in currently existing real-time codes. Finally, calculations on a helium model system are presented.

Citations

• Time-dependent density functional theory: Past, present, and future
• TIME-DEPENDENT DENSITY FUNCTIONAL THEORY
• Time-dependent density-functional theory for open systems
• Self-Consistent Equations Including Exchange and Correlation Effects

Cited by

• The role of interparticle interaction and environmental coupling in a two-particle open quantum system
• Effect of Cusps in Time-Dependent Quantum Mechanics
• Time-Dependent Density Functional Theory for Many-Electron Systems Interacting with Cavity Photons