Double excitations within time-dependent density functional theory linear response

Neepa T. Maitra; Fan Zhang; Robert J. Cave; Kieron Burke

doi:10.1063/1.1651060

Double excitations within time-dependent density functional theory linear response

Neepa T. Maitra, Fan Zhang, Robert J. Cave, Kieron Burke

Research output: Contribution to journal › Review article › peer-review

450 Scopus citations

Abstract

Double excitations within time-dependent density functional theory linear response were described. The one-to-one mapping between densities and potentials produced a Kohn-Sham (KS) system of noninteracting electrons. The linear response equations were solved using an adiabatic kernel method. The results provide accurate approximations to states of double excitation character.

Original language	English (US)
Pages (from-to)	5932-5937
Number of pages	6
Journal	Journal of Chemical Physics
Volume	120
Issue number	13
DOIs	https://doi.org/10.1063/1.1651060
State	Published - Apr 1 2004
Externally published	Yes

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1651060

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title = "Double excitations within time-dependent density functional theory linear response",

abstract = "Double excitations within time-dependent density functional theory linear response were described. The one-to-one mapping between densities and potentials produced a Kohn-Sham (KS) system of noninteracting electrons. The linear response equations were solved using an adiabatic kernel method. The results provide accurate approximations to states of double excitation character.",

author = "Maitra, {Neepa T.} and Fan Zhang and Cave, {Robert J.} and Kieron Burke",

year = "2004",

month = apr,

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doi = "10.1063/1.1651060",

language = "English (US)",

volume = "120",

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journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

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T1 - Double excitations within time-dependent density functional theory linear response

AU - Maitra, Neepa T.

AU - Zhang, Fan

AU - Cave, Robert J.

AU - Burke, Kieron

PY - 2004/4/1

Y1 - 2004/4/1

N2 - Double excitations within time-dependent density functional theory linear response were described. The one-to-one mapping between densities and potentials produced a Kohn-Sham (KS) system of noninteracting electrons. The linear response equations were solved using an adiabatic kernel method. The results provide accurate approximations to states of double excitation character.

AB - Double excitations within time-dependent density functional theory linear response were described. The one-to-one mapping between densities and potentials produced a Kohn-Sham (KS) system of noninteracting electrons. The linear response equations were solved using an adiabatic kernel method. The results provide accurate approximations to states of double excitation character.

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DO - 10.1063/1.1651060

M3 - Review article

C2 - 15267474

AN - SCOPUS:1942503171

SN - 0021-9606

VL - 120

SP - 5932

EP - 5937

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 13

ER -

Double excitations within time-dependent density functional theory linear response

Abstract

All Science Journal Classification (ASJC) codes

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