Attainable accuracy in the numerical integration of the Thomas?Fermi kinetic-energy functional using a modeled electron density

P. Csavinszky

doi:10.1007/bf01164450

Attainable accuracy in the numerical integration of the Thomas?Fermi kinetic-energy functional using a modeled electron density

Journal of Mathematical Chemistry ◽

10.1007/bf01164450 ◽

1993 ◽

Vol 14 (1) ◽

pp. 1-6

Author(s):

P. Csavinszky

Keyword(s):

Kinetic Energy ◽

Numerical Integration ◽

Electron Density ◽

Energy Functional ◽

Thomas Fermi ◽

Kinetic Energy Functional

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Exact single-particle kinetic energy functional for general two-level and modeln-level one-dimensional systems: Dependence only on electron density and its gradient

Physical Review A ◽

10.1103/physreva.39.4270 ◽

1989 ◽

Vol 39 (8) ◽

pp. 4270-4271 ◽

Cited By ~ 6

Author(s):

P. M. Kozlowski ◽

N. H. March

Keyword(s):

Kinetic Energy ◽

Electron Density ◽

Single Particle ◽

Energy Functional ◽

One Dimensional ◽

Kinetic Energy Functional ◽

Particle Kinetic Energy

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Kohn-Sham equations with constrained electron density: The effect of various kinetic energy functional parametrizations on the ground-state molecular properties

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1997)61:2<303::aid-qua13>3.0.co;2-c ◽

1997 ◽

Vol 61 (2) ◽

pp. 303-311 ◽

Cited By ~ 30

Author(s):

Tomasz Adam Wesolowski ◽

Jacques Weber

Keyword(s):

Kinetic Energy ◽

Electron Density ◽

Ground State ◽

Energy Functional ◽

Molecular Properties ◽

Kinetic Energy Functional

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Kinetic energy functional derivative for the Thomas-Fermi atom inD dimensions

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1997)65:5<411::aid-qua5>3.0.co;2-z ◽

1997 ◽

Vol 65 (5) ◽

pp. 411-413 ◽

Cited By ~ 6

Author(s):

Norman H. March ◽

Sabre Kais

Keyword(s):

Kinetic Energy ◽

Energy Functional ◽

Functional Derivative ◽

Thomas Fermi ◽

Kinetic Energy Functional

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Local behavior of the first-order gradient correction to the Thomas–Fermi kinetic energy functional

The Journal of Chemical Physics ◽

10.1063/1.3246863 ◽

2009 ◽

Vol 131 (16) ◽

pp. 164117 ◽

Cited By ~ 3

Author(s):

David García-Aldea ◽

T. Martín-Blas ◽

J. E. Alvarellos

Keyword(s):

Kinetic Energy ◽

Energy Functional ◽

Local Behavior ◽

Thomas Fermi ◽

First Order ◽

Kinetic Energy Functional ◽

Gradient Correction

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Exact properties of the Pauli potential for the square root of the electron density and the kinetic energy functional

Physical Review A ◽

10.1103/physreva.38.625 ◽

1988 ◽

Vol 38 (2) ◽

pp. 625-629 ◽

Cited By ~ 136

Author(s):

Mel Levy ◽

Hui Ou-Yang

Keyword(s):

Kinetic Energy ◽

Electron Density ◽

Energy Functional ◽

Square Root ◽

Pauli Potential ◽

Kinetic Energy Functional

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Precision in the numerical integration of the Thomas-Fermi-Dirac kinetic-energy and exchange-energy functionals using a modeled electron density

International Journal of Quantum Chemistry ◽

10.1002/qua.560440832 ◽

1992 ◽

Vol 44 (S26) ◽

pp. 371-375

Author(s):

P. Csavinszky

Keyword(s):

Kinetic Energy ◽

Numerical Integration ◽

Electron Density ◽

Exchange Energy ◽

Energy Functionals ◽

Thomas Fermi

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Kinetic-energy functional of the electron density

Physical Review B ◽

10.1103/physrevb.45.13196 ◽

1992 ◽

Vol 45 (23) ◽

pp. 13196-13220 ◽

Cited By ~ 194

Author(s):

Lin-Wang Wang ◽

Michael P. Teter

Keyword(s):

Kinetic Energy ◽

Electron Density ◽

Energy Functional ◽

Kinetic Energy Functional

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Non-local approximations to the kinetic energy functional

Journal of Physics C Solid State Physics ◽

10.1088/0022-3719/16/4/014 ◽

1983 ◽

Vol 16 (4) ◽

pp. 677-689 ◽

Cited By ~ 17

Author(s):

M L Plumer ◽

D J W Geldart

Keyword(s):

Kinetic Energy ◽

Energy Functional ◽

Local Approximations ◽

Kinetic Energy Functional ◽

Non Local

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Realizations of the noninteracting kinetic energy functional enhancement factor through local-scaling transformations: Atoms

International Journal of Quantum Chemistry ◽

10.1002/qua.10401 ◽

2002 ◽

Vol 91 (2) ◽

pp. 94-104 ◽

Cited By ~ 7

Author(s):

Eduardo V. Ludeña ◽

Valentin V. Karasiev ◽

Lorenzo Echevarría

Keyword(s):

Kinetic Energy ◽

Enhancement Factor ◽

Energy Functional ◽

Local Scaling ◽

Kinetic Energy Functional

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Exact orbital-free kinetic energy functional for general many-electron systems

Frontiers of Physics ◽

10.1007/s11467-019-0948-6 ◽

2020 ◽

Vol 15 (2) ◽

Cited By ~ 1

Author(s):

Thomas Pope ◽

Werner Hofer

Keyword(s):

Kinetic Energy ◽

Energy Functional ◽

Electron Systems ◽

Kinetic Energy Functional ◽

Orbital Free

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