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Title: Exploring non-adiabatic approximations to the exchange–correlation functional of TDDFT

Abstract

Decomposition of the exact time-dependent exchange–correlation potential offers a new starting point to build approximations with memory.

Authors:
ORCiD logo [1];  [2];  [3]; ORCiD logo [2]
  1. Departamento de Física and IFIBA; FCEN; Universidad de Buenos Aires; Ciudad Universitaria; C1428EHA Ciudad de Buenos Aires
  2. Department of Physics and Astronomy; Hunter College and the Graduate Center of the City University of New York; New York; USA
  3. Max Planck Institute for the Structure and Dynamics of Matter and Center for Free-Electron Laser Science; 22761 Hamburg; Germany
Publication Date:
Research Org.:
City Univ. of New York (CUNY), NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1612279
DOE Contract Number:  
SC0015344
Resource Type:
Journal Article
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Volume: 20; Journal Issue: 41; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
Chemistry; Physics

Citation Formats

Fuks, Johanna I., Lacombe, Lionel, Nielsen, Søren E. B., and Maitra, Neepa T. Exploring non-adiabatic approximations to the exchange–correlation functional of TDDFT. United States: N. p., 2018. Web. doi:10.1039/c8cp03957g.
Fuks, Johanna I., Lacombe, Lionel, Nielsen, Søren E. B., & Maitra, Neepa T. Exploring non-adiabatic approximations to the exchange–correlation functional of TDDFT. United States. https://doi.org/10.1039/c8cp03957g
Fuks, Johanna I., Lacombe, Lionel, Nielsen, Søren E. B., and Maitra, Neepa T. 2018. "Exploring non-adiabatic approximations to the exchange–correlation functional of TDDFT". United States. https://doi.org/10.1039/c8cp03957g.
@article{osti_1612279,
title = {Exploring non-adiabatic approximations to the exchange–correlation functional of TDDFT},
author = {Fuks, Johanna I. and Lacombe, Lionel and Nielsen, Søren E. B. and Maitra, Neepa T.},
abstractNote = {Decomposition of the exact time-dependent exchange–correlation potential offers a new starting point to build approximations with memory.},
doi = {10.1039/c8cp03957g},
url = {https://www.osti.gov/biblio/1612279}, journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
issn = {1463-9076},
number = 41,
volume = 20,
place = {United States},
year = {2018},
month = {1}
}

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