Literature DB >> 12096991

Memory in time-dependent density functional theory.

Neepa T Maitra1, Kieron Burke, Chris Woodward.   

Abstract

Exact time-dependent density functionals remember both the entire history of the density and the initial wave function. We show that the two effects are intimately related, and all history dependence can be written as initial-state dependence, including that of the exchange-correlation kernel. For states that can be evolved from a ground state, all initial-state dependence is a dependence on a pseudo-prehistory, providing a route to excited-state densities from time-dependent density functional theory.

Year:  2002        PMID: 12096991     DOI: 10.1103/PhysRevLett.89.023002

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  4 in total

1.  Time-resolved spectroscopy in time-dependent density functional theory: an exact condition.

Authors:  Johanna I Fuks; Kai Luo; Ernesto D Sandoval; Neepa T Maitra
Journal:  Phys Rev Lett       Date:  2015-05-05       Impact factor: 9.161

2.  Quantum computing without wavefunctions: time-dependent density functional theory for universal quantum computation.

Authors:  David G Tempel; Alán Aspuru-Guzik
Journal:  Sci Rep       Date:  2012-05-02       Impact factor: 4.379

3.  Electronic Excitation Dynamics in Liquid Water under Proton Irradiation.

Authors:  Kyle G Reeves; Yosuke Kanai
Journal:  Sci Rep       Date:  2017-01-13       Impact factor: 4.379

4.  Light-Matter Response in Nonrelativistic Quantum Electrodynamics.

Authors:  Johannes Flick; Davis M Welakuh; Michael Ruggenthaler; Heiko Appel; Angel Rubio
Journal:  ACS Photonics       Date:  2019-10-02       Impact factor: 7.529

  4 in total

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