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The adiabatic strictly-correlated-electrons functional: kernel and exact properties

Giovanna Lani1, Simone Di Marino2, Augusto Gerolin3

  • 1Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling, FEW, Vrije Universiteit, De Boelelaan 1083, 1081HV Amsterdam, The Netherlands. g.lani@vu.nl p.gorigiorgi@vu.nl.

Physical Chemistry Chemical Physics : PCCP
|March 18, 2016
PubMed
Summary

We explored the adiabatic strictly-correlated electrons (SCE) functional for time-dependent density functional theory. Our findings reveal its compliance with exact theories and introduce a new exchange-correlation kernel for 1D systems.

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