Improving approximate determination of the noninteracting electronic kinetic energy density from electron density

Andrey A. Astakhov; Adam I. Stash; Vladimir G. Tsirelson

doi:10.1002/qua.24957

Improving approximate determination of the noninteracting electronic kinetic energy density from electron density

International Journal of Quantum Chemistry ◽

10.1002/qua.24957 ◽

2015 ◽

Vol 116 (3) ◽

pp. 237-246 ◽

Cited By ~ 15

Author(s):

Andrey A. Astakhov ◽

Adam I. Stash ◽

Vladimir G. Tsirelson

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Electron Density ◽

Approximate Determination ◽

Kinetic Energy Density

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Erratum: “Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density” [J. Chem. Phys. 148, 241705 (2018)]

The Journal of Chemical Physics ◽

10.1063/1.5049687 ◽

2018 ◽

Vol 149 (7) ◽

pp. 079901

Author(s):

Junji Seino ◽

Ryo Kageyama ◽

Mikito Fujinami ◽

Yasuhiro Ikabata ◽

Hiromi Nakai

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Electron Density ◽

Density Functional ◽

Chem Phys ◽

Kinetic Energy Density ◽

Third Order ◽

Energy Density Functional ◽

Kinetic Energy Density Functional ◽

Local Machine

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The virial, boundary kinetic-energy density and electron density, in one dimension and in spherical symmetry

Physics Letters A ◽

10.1016/0375-9601(81)90479-5 ◽

1981 ◽

Vol 83 (9) ◽

pp. 455-456 ◽

Cited By ~ 3

Author(s):

J.A. Alonso ◽

N.H. March

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Electron Density ◽

Spherical Symmetry ◽

One Dimension ◽

Kinetic Energy Density

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Kinetic energy density of nearly free electrons. II. Response functionals of the electron density

Physical Review B ◽

10.1103/physrevb.100.125107 ◽

2019 ◽

Vol 100 (12) ◽

Cited By ~ 1

Author(s):

William C. Witt ◽

Emily A. Carter

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Electron Density ◽

Kinetic Energy Density ◽

Free Electrons

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Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density

The Journal of Chemical Physics ◽

10.1063/1.5007230 ◽

2018 ◽

Vol 148 (24) ◽

pp. 241705 ◽

Cited By ~ 32

Author(s):

Junji Seino ◽

Ryo Kageyama ◽

Mikito Fujinami ◽

Yasuhiro Ikabata ◽

Hiromi Nakai

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Electron Density ◽

Density Functional ◽

Kinetic Energy Density ◽

Third Order ◽

Energy Density Functional ◽

Kinetic Energy Density Functional ◽

Local Machine

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Differential equation for the determination of a first-degree homogeneous noninteracting kinetic-energy density functional for two-level systems

Physics Letters A ◽

10.1016/s0375-9601(02)01141-6 ◽

2002 ◽

Vol 302 (2-3) ◽

pp. 55-58 ◽

Cited By ~ 3

Author(s):

T. Gál ◽

N.H. March ◽

Á. Nagy

Keyword(s):

Differential Equation ◽

Energy Density ◽

Kinetic Energy ◽

Density Functional ◽

Kinetic Energy Density ◽

Energy Density Functional ◽

Kinetic Energy Density Functional ◽

Two Level Systems

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Kinetic energy density in terms of electron density for closed-shell atoms in a bare Coulomb field

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1998)66:4<281::aid-qua3>3.0.co;2-r ◽

1998 ◽

Vol 66 (4) ◽

pp. 281-283 ◽

Cited By ~ 15

Author(s):

C. Amovilli ◽

N. H. March

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Electron Density ◽

Coulomb Field ◽

Closed Shell ◽

Kinetic Energy Density

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Pauli potential in terms of kinetic energy density and electron density in the leading Coulombic term of the nonrelativistic1/Zexpansion of spherical atomic ions

Physical Review A ◽

10.1103/physreva.81.014502 ◽

2010 ◽

Vol 81 (1) ◽

Cited By ~ 4

Author(s):

N. H. March ◽

Á. Nagy

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Electron Density ◽

Kinetic Energy Density ◽

Atomic Ions ◽

Pauli Potential

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On the Possibility of Kinetic Energy Density Evaluation from the Experimental Electron-Density Distribution

Acta Crystallographica Section A Foundations of Crystallography ◽

10.1107/s010876739601495x ◽

1997 ◽

Vol 53 (3) ◽

pp. 264-272 ◽

Cited By ~ 359

Author(s):

Yu. A. Abramov

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Density Distribution ◽

Electron Density ◽

Electron Density Distribution ◽

Kinetic Energy Density ◽

Density Evaluation ◽

Experimental Electron Density

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A form of the single-particle kinetic energy density of an inhomogeneous electron liquid from a combination of one-body potential and ground-state electron density

Physics and Chemistry of Liquids ◽

10.1080/00319101003681618 ◽

2011 ◽

Vol 49 (1) ◽

pp. 91-96

Author(s):

C. Amovilli ◽

N.H. March

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Electron Density ◽

Single Particle ◽

Ground State ◽

Kinetic Energy Density ◽

State Electron ◽

Body Potential ◽

Particle Kinetic Energy ◽

Ground State Electron

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Kinetic-energy density functionals based on the homogeneous response function applied to one-dimensional fermion systems

Physical Review A ◽

10.1103/physreva.57.4192 ◽

1998 ◽

Vol 57 (6) ◽

pp. 4192-4200 ◽

Cited By ~ 25

Author(s):

P. García-González ◽

J. E. Alvarellos ◽

E. Chacón

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Response Function ◽

Kinetic Energy Density ◽

Density Functionals ◽

One Dimensional ◽

Fermion Systems

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