Efficient exact-exchange time-dependent density-functional theory methods and their relation to time-dependent Hartree–Fock

The Journal of Chemical Physics ◽

10.1063/1.3517312 ◽

2011 ◽

Vol 134 (3) ◽

pp. 034120 ◽

Author(s):

Andreas Heßelmann ◽

Andreas Görling

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Exchange Time ◽

Hartree Fock ◽

Exact Exchange ◽

Dependent Density

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Real-Time Electron Dynamics with Exact-Exchange Time-Dependent Density-Functional Theory

Physical Review Letters ◽

10.1103/physrevlett.100.056404 ◽

2008 ◽

Vol 100 (5) ◽

Author(s):

H. O. Wijewardane ◽

C. A. Ullrich

Keyword(s):

Density Functional Theory ◽

Real Time ◽

Density Functional ◽

Time Dependent ◽

Electron Dynamics ◽

Functional Theory ◽

Exchange Time ◽

Exact Exchange ◽

Dependent Density

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Exact-exchange time-dependent density-functional theory for static and dynamic polarizabilities

Physical Review A ◽

10.1103/physreva.71.032507 ◽

2005 ◽

Vol 71 (3) ◽

Author(s):

So Hirata ◽

Stanislav Ivanov ◽

Rodney J. Bartlett ◽

Ireneusz Grabowski

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Exchange Time ◽

Exact Exchange ◽

Dynamic Polarizabilities ◽

Dependent Density

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Exact-exchange time-dependent density-functional theory with the frequency-dependent kernel

Physical Review A ◽

10.1103/physreva.73.010502 ◽

2006 ◽

Vol 73 (1) ◽

Author(s):

Yasuteru Shigeta ◽

Kimihiko Hirao ◽

So Hirata

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Frequency Dependent ◽

Exchange Time ◽

Exact Exchange ◽

Dependent Density

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All-electron calculation of nonadiabatic couplings from time-dependent density functional theory: Probing with the Hartree–Fock exact exchange

The Journal of Chemical Physics ◽

10.1063/1.3226344 ◽

2009 ◽

Vol 131 (11) ◽

pp. 114101 ◽

Author(s):

Chunping Hu ◽

Osamu Sugino ◽

Yoshitaka Tateyama

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Hartree Fock ◽

Exact Exchange ◽

Dependent Density

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Hartree–Fock exchange in time dependent density functional theory: application to charge transfer excitations in solvated molecular systems

Chemical Physics Letters ◽

10.1016/j.cplett.2004.06.121 ◽

2004 ◽

Vol 394 (1-3) ◽

pp. 141-146 ◽

Author(s):

Leonardo Bernasconi ◽

Michiel Sprik ◽

Jürg Hutter

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Molecular Systems ◽

Hartree Fock ◽

Theory Application ◽

Dependent Density

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Exact exchange kernel for time-dependent density-functional theory

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1998)69:3<265::aid-qua6>3.0.co;2-t ◽

1998 ◽

Vol 69 (3) ◽

pp. 265-277 ◽

Author(s):

Andreas G�rling

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Exact Exchange ◽

Exchange Kernel ◽

Dependent Density

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Discontinuous functional for linear-response time-dependent density-functional theory: The exact-exchange kernel and approximate forms

Physical Review A ◽

10.1103/physreva.88.052507 ◽

2013 ◽

Vol 88 (5) ◽

Author(s):

Maria Hellgren ◽

E. K. U. Gross

Keyword(s):

Density Functional Theory ◽

Response Time ◽

Linear Response ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Exact Exchange ◽

Exchange Kernel ◽

Dependent Density

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Exact-exchange optimized effective potential and memory effect in time-dependent density functional theory

The European Physical Journal B ◽

10.1140/epjb/e2018-90084-x ◽

2018 ◽

Vol 91 (7) ◽

Author(s):

Sheng-Lun Liao ◽

Tak-San Ho ◽

Herschel Rabitz ◽

Shih-I Chu

Keyword(s):

Density Functional Theory ◽

Memory Effect ◽

Effective Potential ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Exact Exchange ◽

Optimized Effective Potential ◽

Dependent Density

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Natural excitation orbitals from linear response theories: Time-dependent density functional theory, time-dependent Hartree-Fock, and time-dependent natural orbital functional theory

The Journal of Chemical Physics ◽

10.1063/1.4974327 ◽

2017 ◽

Vol 146 (4) ◽

pp. 044119 ◽

Author(s):

R. van Meer ◽

O. V. Gritsenko ◽

E. J. Baerends

Keyword(s):

Density Functional Theory ◽

Linear Response ◽

Density Functional ◽

Time Dependent ◽

Natural Orbital ◽

Functional Theory ◽

Hartree Fock ◽

Natural Orbital Functional Theory ◽

Dependent Density

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Excitation energies of molecules by time-dependent density functional theory based on effective exact exchange Kohn-Sham potentials

International Journal of Quantum Chemistry ◽

10.1002/qua.10425 ◽

2002 ◽

Vol 91 (2) ◽

pp. 131-138 ◽

Author(s):

Fabio Della Sala ◽

Andreas Görling

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Excitation Energies ◽

Functional Theory ◽

Exact Exchange ◽

Dependent Density

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