Time-dependent density-functional and reduced density-matrix methods for few electrons: Exact versus adiabatic approximations

Eliminating spin-contamination of spin-flip time dependent density functional theory within linear response formalism by the use of zeroth-order mixed-reference (MR) reduced density matrix

The Journal of Chemical Physics ◽

10.1063/1.5044202 ◽

2018 ◽

Vol 149 (10) ◽

pp. 104101 ◽

Cited By ~ 17

Author(s):

Seunghoon Lee ◽

Michael Filatov ◽

Sangyoub Lee ◽

Cheol Ho Choi

Keyword(s):

Density Matrix ◽

Linear Response ◽

Density Functional ◽

Time Dependent ◽

Reduced Density Matrix ◽

Zeroth Order ◽

Functional Theory ◽

Reduced Density ◽

Dependent Density

Many-Body Quantum Dynamics by the Reduced Density Matrix Based on Time-Dependent Density-Functional Theory

Physical Review Letters ◽

10.1103/physrevlett.123.095302 ◽

2019 ◽

Vol 123 (9) ◽

Author(s):

Vladimir U. Nazarov

Keyword(s):

Quantum Dynamics ◽

Density Functional ◽

Time Dependent ◽

Reduced Density Matrix ◽

Many Body ◽

Functional Theory ◽

Many Body Quantum Dynamics ◽

Reduced Density ◽

Dependent Density

Combining Pair-Density Functional Theory and Variational Two-Electron Reduced-Density Matrix Methods

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.8b00988 ◽

2018 ◽

Vol 15 (1) ◽

pp. 290-302 ◽

Cited By ~ 9

Author(s):

Mohammad Mostafanejad ◽

A. Eugene DePrince

Keyword(s):

Density Matrix ◽

Density Functional ◽

Reduced Density Matrix ◽

Functional Theory ◽

Matrix Methods ◽

Pair Density ◽

Reduced Density Matrix Functional Theory (RDMFT) and Linear Response Time-Dependent RDMFT (TD-RDMFT)

Density-Functional Methods for Excited States - Topics in Current Chemistry ◽

10.1007/128_2015_624 ◽

2015 ◽

pp. 125-183 ◽

Cited By ~ 35

Author(s):

Katarzyna Pernal ◽

Klaas J. H. Giesbertz

Keyword(s):

Density Matrix ◽

Response Time ◽

Linear Response ◽

Time Dependent ◽

Reduced Density Matrix ◽

Functional Theory ◽

Analytic Energy Gradients for Variational Two-Electron Reduced-Density Matrix Methods within the Density Fitting Approximation

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.8b00973 ◽

2018 ◽

Vol 15 (1) ◽

pp. 276-289 ◽

Cited By ~ 6

Author(s):

J. Wayne Mullinax ◽

Evgeny Epifanovsky ◽

Gergely Gidofalvi ◽

A. Eugene DePrince

Keyword(s):

Density Matrix ◽

Reduced Density Matrix ◽

Matrix Methods ◽

Density Fitting ◽

Self-consistent many-body perturbation theory in range-separated density-functional theory: A one-electron reduced-density-matrix-based formulation

Physical Review A ◽

10.1103/physreva.78.022504 ◽

2008 ◽

Vol 78 (2) ◽

Cited By ~ 48

Author(s):

Emmanuel Fromager ◽

Hans Jørgen Aa. Jensen

Keyword(s):

Perturbation Theory ◽

Density Matrix ◽

Density Functional ◽

Reduced Density Matrix ◽

Many Body ◽

Functional Theory ◽

Self Consistent ◽

Many Body Perturbation Theory ◽

Generalized density-functional theory: Conquering theN-representability problem with exact functionals for the electron pair density and the second-order reduced density matrix

Journal of Chemical Sciences ◽

10.1007/bf02708356 ◽

2005 ◽

Vol 117 (5) ◽

pp. 507-514 ◽

Cited By ~ 70

Author(s):

Paul W. Ayers ◽

Mel Levy

Keyword(s):

Density Matrix ◽

Density Functional ◽

Electron Pair ◽

Second Order ◽

Reduced Density Matrix ◽

Functional Theory ◽

Pair Density ◽

Reduced Density ◽

Electron Pair Density

High-harmonic spectra from time-dependent two-particle reduced-density-matrix theory

Physical Review A ◽

10.1103/physreva.95.033414 ◽

2017 ◽

Vol 95 (3) ◽

Cited By ~ 20

Author(s):

Fabian Lackner ◽

Iva Březinová ◽

Takeshi Sato ◽

Kenichi L. Ishikawa ◽

Joachim Burgdörfer

Keyword(s):

Density Matrix ◽

Matrix Theory ◽

High Harmonic ◽

Time Dependent ◽

Reduced Density Matrix ◽

Reduced Density ◽

Density Matrix Theory

Unity of Kohn-Sham density-functional theory and reduced-density-matrix-functional theory

Physical Review A ◽

10.1103/physreva.104.052809 ◽

2021 ◽

Vol 104 (5) ◽

Author(s):

Neil Qiang Su

Keyword(s):

Density Matrix ◽

Density Functional ◽

Reduced Density Matrix ◽

Functional Theory ◽

Adiabatic approximation in time-dependent reduced-density-matrix functional theory

Physical Review A ◽

10.1103/physreva.81.042519 ◽

2010 ◽

Vol 81 (4) ◽

Cited By ~ 39

Author(s):

Ryan Requist ◽

Oleg Pankratov

Keyword(s):

Density Matrix ◽

Adiabatic Approximation ◽

Time Dependent ◽

Reduced Density Matrix ◽

Functional Theory ◽