Density matrix functional theory that includes pairing correlations

S. Krewald; V. B. Soubbotin; V. I. Tselyaev; X. Viñas

doi:10.1103/physrevc.74.064310

Density matrix functional theory that includes pairing correlations

Physical Review C ◽

10.1103/physrevc.74.064310 ◽

2006 ◽

Vol 74 (6) ◽

Cited By ~ 9

Author(s):

S. Krewald ◽

V. B. Soubbotin ◽

V. I. Tselyaev ◽

X. Viñas

Keyword(s):

Density Matrix ◽

Functional Theory ◽

Pairing Correlations

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Density cumulant functional theory: The DC-12 method, an improved description of the one-particle density matrix

The Journal of Chemical Physics ◽

10.1063/1.4773580 ◽

2013 ◽

Vol 138 (2) ◽

pp. 024107 ◽

Cited By ~ 13

Author(s):

Alexander Yu. Sokolov ◽

Andrew C. Simmonett ◽

Henry F. Schaefer

Keyword(s):

Density Matrix ◽

Particle Density ◽

Functional Theory ◽

The One

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Excitation energies with linear response density matrix functional theory along the dissociation coordinate of an electron-pair bond in N-electron systems

The Journal of Chemical Physics ◽

10.1063/1.4852195 ◽

2014 ◽

Vol 140 (2) ◽

pp. 024101 ◽

Cited By ~ 13

Author(s):

R. van Meer ◽

O. V. Gritsenko ◽

E. J. Baerends

Keyword(s):

Density Matrix ◽

Linear Response ◽

Electron Pair ◽

Pair Bond ◽

Electron Systems ◽

Excitation Energies ◽

Functional Theory

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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 ◽

Reduced Density

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Performance of the Density Matrix Functional Theory in the Quantum Theory of Atoms in Molecules

The Journal of Physical Chemistry A ◽

10.1021/jp204001n ◽

2011 ◽

Vol 116 (4) ◽

pp. 1237-1250 ◽

Cited By ~ 27

Author(s):

Marco García-Revilla ◽

E. Francisco ◽

A. Costales ◽

A. Martín Pendás

Keyword(s):

Quantum Theory ◽

Density Matrix ◽

Atoms In Molecules ◽

Functional Theory

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Exact treatment of pairing correlations in Yb isotopes with covariant density functional theory

Chinese Physics C ◽

10.1088/1674-1137/38/7/074103 ◽

2014 ◽

Vol 38 (7) ◽

pp. 074103 ◽

Cited By ~ 1

Author(s):

Lang Liu ◽

Peng-Wei Zhao

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Covariant Density Functional Theory ◽

Pairing Correlations ◽

Covariant Density

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Cumulant 2-matrix of the high-density electron gas and the density matrix functional theory

International Journal of Quantum Chemistry ◽

10.1002/qua.969 ◽

2002 ◽

Vol 90 (1) ◽

pp. 342-354 ◽

Cited By ~ 19

Author(s):

P. Ziesche

Keyword(s):

Density Matrix ◽

Electron Gas ◽

High Density ◽

Functional Theory

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Geminal functional theory: A synthesis of density and density matrix methods

The Journal of Chemical Physics ◽

10.1063/1.481653 ◽

2000 ◽

Vol 112 (23) ◽

pp. 10125-10130 ◽

Cited By ~ 43

Author(s):

David A. Mazziotti

Keyword(s):

Density Matrix ◽

Functional Theory ◽

Matrix Methods

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Time-dependent density-matrix functional theory for trion excitations: Application to monolayerMoS2and other transition-metal dichalcogenides

Physical Review B ◽

10.1103/physrevb.90.085419 ◽

2014 ◽

Vol 90 (8) ◽

Cited By ~ 19

Author(s):

Alfredo Ramirez-Torres ◽

Volodymyr Turkowski ◽

Talat S. Rahman

Keyword(s):

Transition Metal ◽

Density Matrix ◽

Transition Metal Dichalcogenides ◽

Time Dependent ◽

Functional Theory ◽

Metal Dichalcogenides ◽

Dependent Density

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QUASILOCAL DENSITY FUNCTIONAL THEORY FOR NUCLEI INCLUDING PAIRING CORRELATIONS

International Journal of Modern Physics E ◽

10.1142/s0218301307005697 ◽

2007 ◽

Vol 16 (02) ◽

pp. 249-262 ◽

Cited By ~ 1

Author(s):

X. VIÑAS ◽

V. I. TSELYAEV ◽

V. B. SOUBBOTIN ◽

S. KREWALD

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Equations Of Motion ◽

Mean Field ◽

Field Operator ◽

Functional Theory ◽

Hartree Fock ◽

Orbit Potential ◽

The Density Functional Theory ◽

Pairing Correlations

We propose first a generalization of the Density Functional Theory leading to single-particle equations of motion with a quasilocal mean-field operator containing a position-dependent effective mass and a spin-orbit potential. Ground-state properties of doubly magic nuclei are obtained within this framework using the Gogny D1S force and compared with the exact Hartree-Fock values. Next, extend the Density Functional Theory to include pairing correlations without formal violation of the particle-number condition. This theory, which is nonlocal, is simplified by a suitable quasilocal reduction. Some calculations to show the ability of this theory are presented.

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