Relationship between gradient expansion terms in the kinetic and exchange energy-density functionals in statistical models of an atom with shell structure

Physical Review A ◽

10.1103/physreva.27.1184 ◽

1983 ◽

Vol 27 (2) ◽

pp. 1184-1186 ◽

Author(s):

P. Csavinszky

Keyword(s):

Energy Density ◽

Shell Structure ◽

Statistical Models ◽

Exchange Energy ◽

Density Functionals ◽

Gradient Expansion

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Conjoint gradient correction to the Hartree-Fock kinetic- and exchange-energy density functionals

Physical Review A ◽

10.1103/physreva.44.768 ◽

1991 ◽

Vol 44 (1) ◽

pp. 768-771 ◽

Author(s):

Hsing Lee ◽

Chengteh Lee ◽

Robert G. Parr

Keyword(s):

Energy Density ◽

Exchange Energy ◽

Density Functionals ◽

Hartree Fock ◽

Gradient Correction

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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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Coulomb-attenuated exchange energy density functionals

Molecular Physics ◽

10.1080/00268979609484488 ◽

1996 ◽

Vol 88 (4) ◽

pp. 1005-1009 ◽

Author(s):

PETER M. W. GILL ◽

ROSS D. ADAMSON ◽

JOHN A. POPLE

Keyword(s):

Energy Density ◽

Exchange Energy ◽

Density Functionals

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Kinetic and exchange energy density functionals for finite systems

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/0953-4075/24/9/006 ◽

1991 ◽

Vol 24 (9) ◽

pp. 2257-2265 ◽

Author(s):

A Samanta ◽

S K Ghosh

Keyword(s):

Energy Density ◽

Exchange Energy ◽

Density Functionals ◽

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Exchange-Energy Density Functionals as Linear Combinations of Homogeneous Functionals of Density

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(08)60479-7 ◽

2000 ◽

pp. 77-91 ◽

Author(s):

Shubin Liu ◽

Frank De Proft ◽

Agnes Nagy ◽

Robert G. Parr

Keyword(s):

Energy Density ◽

Exchange Energy ◽

Density Functionals ◽

Linear Combinations

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Gradient expansion correction to the Dirac exchange term in statistical models for the Na atom with shell structure

International Journal of Quantum Chemistry ◽

10.1002/qua.560230611 ◽

1983 ◽

Vol 23 (6) ◽

pp. 1973-1978 ◽

Author(s):

P. Csa Vinszky ◽

F. Vosman

Keyword(s):

Shell Structure ◽

Statistical Models ◽

Exchange Term ◽

Gradient Expansion

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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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Assessing locally range-separated hybrid functionals from a gradient expansion of the exchange energy density

The Journal of Chemical Physics ◽

10.1063/5.0047628 ◽

2021 ◽

Vol 154 (21) ◽

pp. 214101

Author(s):

Toni M. Maier ◽

Yasuhiro Ikabata ◽

Hiromi Nakai

Keyword(s):

Energy Density ◽

Exchange Energy ◽

Gradient Expansion ◽

Hybrid Functionals

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Further evidence of the conjoint correction to the local kinetic and exchange energy density functionals

Chemical Physics Letters ◽

10.1016/0009-2614(94)01321-l ◽

1995 ◽

Vol 232 (1-2) ◽

pp. 31-34 ◽

Author(s):

P. Fuentealba ◽

O. Reyes

Keyword(s):

Energy Density ◽

Exchange Energy ◽

Density Functionals

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Incipient manifestation of the shell structure of atoms within the WDA model for the exchange and kinetic energy density functionals

Chemical Physics ◽

10.1016/0301-0104(95)00129-c ◽

1995 ◽

Vol 196 (3) ◽

pp. 455-463 ◽

Author(s):

M.D. Glossman ◽

L.C. Balbás ◽

J.A. Alonso

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Shell Structure ◽

Kinetic Energy Density ◽

Density Functionals

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