The exact exchange potential in time-dependent density-functional
theory is defined as an orbital functional through the time-dependent
optimized effective potential (TDOEP) method. We numerically solve
the TDOEP integral equation for the real-time nonlinear intersubband
electron dynamics in a semiconductor quantum well with two occupied
subbands. It is found that memory effects become significant in the
vicinity of intersubband resonances.
Description
Time dependent density functional theory; Memory effects kernel; breakdown adiabatic approximation
TDOEP vs TDKLI & AOEP (adiabatic)
From numerical simulation:
memory effects appears at high frequency and close to resonance, but
they have little effect on the dynamic itsself
BUT:
<<Nonadiabatic effects should become more important for
larger relative occupancies of upper levels, and in fre-
quency regimes further above the lowest excitations.>>
AND
<<This suggests that for intrinsically nonadiabatic phenomena such
as multiple excitations
and dissipation one needs to go beyond exact exchange.
Further exploration of orbital functionals thus remains an
important task in TDDFT.>>
%0 Journal Article
%1 Wijewardane2008
%A Wijewardane, H. O.
%A Ullrich, C. A.
%D 2008
%I APS
%J Physical Review Letters
%K imported
%N 5
%P 056404
%R 10.1103/PhysRevLett.100.056404
%T Real-Time Electron Dynamics with Exact-Exchange Time-Dependent Density-Functional
Theory
%U http://link.aps.org/abstract/PRL/v100/e056404
%V 100
%X The exact exchange potential in time-dependent density-functional
theory is defined as an orbital functional through the time-dependent
optimized effective potential (TDOEP) method. We numerically solve
the TDOEP integral equation for the real-time nonlinear intersubband
electron dynamics in a semiconductor quantum well with two occupied
subbands. It is found that memory effects become significant in the
vicinity of intersubband resonances.
@article{Wijewardane2008,
abstract = {The exact exchange potential in time-dependent density-functional
theory is defined as an orbital functional through the time-dependent
optimized effective potential (TDOEP) method. We numerically solve
the TDOEP integral equation for the real-time nonlinear intersubband
electron dynamics in a semiconductor quantum well with two occupied
subbands. It is found that memory effects become significant in the
vicinity of intersubband resonances.},
added-at = {2010-01-22T12:15:18.000+0100},
author = {Wijewardane, H. O. and Ullrich, C. A.},
biburl = {https://www.bibsonomy.org/bibtex/28102ed43441bcd0b70240e196278ba6b/myrta},
description = {Time dependent density functional theory; Memory effects kernel; breakdown adiabatic approximation},
doi = {10.1103/PhysRevLett.100.056404},
eid = {056404},
file = {:home/cfc/myrta/VirtualLibrary/MemoryKernel/PhysRevLett_100_056404.pdf:PDF},
interhash = {77935bae857ff28ecaf0c5dfe786623d},
intrahash = {8102ed43441bcd0b70240e196278ba6b},
journal = {Physical Review Letters},
keywords = {imported},
number = 5,
numpages = {4},
pages = 056404,
publisher = {APS},
review = {TDOEP vs TDKLI & AOEP (adiabatic)
From numerical simulation:
memory effects appears at high frequency and close to resonance, but
they have little effect on the dynamic itsself
BUT:
<<Nonadiabatic effects should become more important for
larger relative occupancies of upper levels, and in fre-
quency regimes further above the lowest excitations.>>
AND
<<This suggests that for intrinsically nonadiabatic phenomena such
as multiple excitations
and dissipation one needs to go beyond exact exchange.
Further exploration of orbital functionals thus remains an
important task in TDDFT.>>},
timestamp = {2010-01-22T12:15:23.000+0100},
title = {Real-Time Electron Dynamics with Exact-Exchange Time-Dependent Density-Functional
Theory},
url = {http://link.aps.org/abstract/PRL/v100/e056404},
volume = 100,
year = 2008
}