Introduction of the shell structure with gradient expansion corrections into the Thomas-Fermi-Dirac energy density functional for neutral atoms

International Journal of Quantum Chemistry ◽

10.1002/qua.560200841 ◽

2009 ◽

Vol 20 (S15) ◽

pp. 387-391

Author(s):

P. Csavinszky

Keyword(s):

Energy Density ◽

Shell Structure ◽

Density Functional ◽

Neutral Atoms ◽

Energy Density Functional ◽

Gradient Expansion ◽

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Introduction of the shell structure into the Thomas—Fermi energy density functional for neutral atoms

Chemical Physics Letters ◽

10.1016/0009-2614(81)80160-1 ◽

1981 ◽

Vol 77 (2) ◽

pp. 339-341 ◽

Author(s):

P. Csavinszky

Keyword(s):

Energy Density ◽

Fermi Energy ◽

Shell Structure ◽

Density Functional ◽

Neutral Atoms ◽

Energy Density Functional ◽

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Sixth-order term of the gradient expansion of the kinetic-energy density functional

Physical Review A ◽

10.1103/physreva.24.1682 ◽

1981 ◽

Vol 24 (4) ◽

pp. 1682-1688 ◽

Author(s):

D. R. Murphy

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Density Functional ◽

Sixth Order ◽

Kinetic Energy Density ◽

Energy Density Functional ◽

Gradient Expansion ◽

Kinetic Energy Density Functional

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Introduction of the shell structure into the Thomas-Fermi-Dirac and Thomas-Fermi-Dirac-Weizsäcker energy-density functionals for neutral atoms

Physical Review A ◽

10.1103/physreva.24.1215 ◽

1981 ◽

Vol 24 (3) ◽

pp. 1215-1217 ◽

Author(s):

P. Csavinszky

Keyword(s):

Energy Density ◽

Shell Structure ◽

Density Functionals ◽

Neutral Atoms ◽

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Convergent sum of gradient expansion of the kinetic-energy density functional up to the sixth order term using Padé approximant

Journal of Physics Conference Series ◽

10.1088/1742-6596/707/1/012011 ◽

2016 ◽

Vol 707 ◽

pp. 012011 ◽

Author(s):

A. Sergeev ◽

F.H. Alharbi ◽

R. Jovanovic ◽

S. Kais

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Density Functional ◽

Sixth Order ◽

Kinetic Energy Density ◽

Energy Density Functional ◽

Gradient Expansion ◽

Pade Approximant ◽

Kinetic Energy Density Functional

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Study of some surface properties using a simple gradient expansion of the kinetic energy density functional

Il Nuovo Cimento D ◽

10.1007/bf02451953 ◽

1990 ◽

Vol 12 (8) ◽

pp. 1109-1116

Author(s):

O. H. Mobarek ◽

M. R. Arafah

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Surface Properties ◽

Density Functional ◽

Kinetic Energy Density ◽

Energy Density Functional ◽

Gradient Expansion ◽

Kinetic Energy Density Functional

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The Thomas-Fermi Energy Density Functional and Its Generalizations

Energy Density Functional Theory of Many-Electron Systems ◽

10.1007/978-94-009-1970-9_5 ◽

1990 ◽

pp. 312-410

Author(s):

Eugene S. Kryachko ◽

Eduardo V. Ludeña

Keyword(s):

Energy Density ◽

Fermi Energy ◽

Density Functional ◽

Energy Density Functional ◽

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Gradient expansion of the exchange energy density functional: A complementary expansion of the atomic energy functional

The Journal of Chemical Physics ◽

10.1063/1.440248 ◽

1980 ◽

Vol 73 (3) ◽

pp. 1340-1343 ◽

Author(s):

Chia C. Shih ◽

Danny R. Murphy ◽

Wen‐Ping Wang

Keyword(s):

Energy Density ◽

Density Functional ◽

Energy Functional ◽

Exchange Energy ◽

Atomic Energy ◽

Energy Density Functional ◽

Gradient Expansion

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Extended Thomas-Fermi kinetic energy density functional with spatially varying effective mass ind=1,2,3dimensions

Physical Review A ◽

10.1103/physreva.72.022508 ◽

2005 ◽

Vol 72 (2) ◽

Author(s):

K. Berkane ◽

K. Bencheikh

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Effective Mass ◽

Density Functional ◽

Kinetic Energy Density ◽

Energy Density Functional ◽

Thomas Fermi ◽

Kinetic Energy Density Functional ◽

Spatially Varying

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Gradient expansion of the kinetic energy density functional: Local behavior of the kinetic energy density

Chemical Physics Letters ◽

10.1016/0009-2614(79)80592-8 ◽

1979 ◽

Vol 60 (3) ◽

pp. 377-379 ◽

Author(s):

Danny R. Murphy ◽

Robert G. Parr

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Density Functional ◽

Kinetic Energy Density ◽

Local Behavior ◽

Energy Density Functional ◽

Gradient Expansion ◽

Kinetic Energy Density Functional

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Gradient expansion of the exchange-energy density functional: Effect of taking limits in the wrong order

Physical Review B ◽

10.1103/physrevb.37.4634 ◽

1988 ◽

Vol 37 (9) ◽

pp. 4634-4636 ◽

Author(s):

Leonard Kleinman ◽

Seongbok Lee

Keyword(s):

Energy Density ◽

Density Functional ◽

Exchange Energy ◽

Functional Effect ◽

Energy Density Functional ◽

Gradient Expansion

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