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 ◽

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 ◽

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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 ◽

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Semi-local machine-learned kinetic energy density functional demonstrating smooth potential energy curves

Chemical Physics Letters ◽

10.1016/j.cplett.2019.136732 ◽

2019 ◽

Vol 734 ◽

pp. 136732 ◽

Author(s):

Junji Seino ◽

Ryo Kageyama ◽

Mikito Fujinami ◽

Yasuhiro Ikabata ◽

Hiromi Nakai

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Potential Energy ◽

Density Functional ◽

Potential Energy Curves ◽

Kinetic Energy Density ◽

Energy Density Functional ◽

Smooth Potential ◽

Kinetic Energy Density Functional ◽

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Correlated kinetic energy density functional of ground states of harmonically confined two-electron atoms for arbitrary interparticle interaction

Physica Scripta ◽

10.1088/0031-8949/85/06/065303 ◽

2012 ◽

Vol 85 (6) ◽

pp. 065303 ◽

Author(s):

C Amovilli ◽

N H March

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Density Functional ◽

Ground States ◽

Interparticle Interaction ◽

Kinetic Energy Density ◽

Energy Density Functional ◽

Kinetic Energy Density Functional

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Gradient corrections to the kinetic energy density functional of a two-dimensional Fermi gas at finite temperature

Physical Review B ◽

10.1103/physrevb.83.195136 ◽

2011 ◽

Vol 83 (19) ◽

Author(s):

B. P. van Zyl ◽

K. Berkane ◽

K. Bencheikh ◽

A. Farrell

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Finite Temperature ◽

Density Functional ◽

Fermi Gas ◽

Kinetic Energy Density ◽

Two Dimensional ◽

Energy Density Functional ◽

Gradient Corrections ◽

Kinetic 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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A new form for the kinetic energy-density functional for many-electron systems

Chemical Physics Letters ◽

10.1016/0009-2614(84)80440-6 ◽

1984 ◽

Vol 111 (1-2) ◽

pp. 79-81 ◽

Author(s):

S. Haq ◽

P.K. Chattaraj ◽

B.M. Deb

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Density Functional ◽

Kinetic Energy Density ◽

Electron Systems ◽

Energy Density Functional ◽

Kinetic Energy Density Functional ◽

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A simple generalized gradient approximation for the noninteracting kinetic energy density functional

Physical Review B ◽

10.1103/physrevb.98.041111 ◽

2018 ◽

Vol 98 (4) ◽

Author(s):

Kai Luo ◽

Valentin V. Karasiev ◽

S. B. Trickey

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Density Functional ◽

Kinetic Energy Density ◽

Generalized Gradient ◽

Energy Density Functional ◽

Generalized Gradient Approximation ◽

Kinetic Energy Density Functional

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Enhanced von Weizsäcker Wang-Govind-Carter kinetic energy density functional for semiconductors

The Journal of Chemical Physics ◽

10.1063/1.4869867 ◽

2014 ◽

Vol 140 (18) ◽

pp. 18A531 ◽

Author(s):

Ilgyou Shin ◽

Emily A. Carter

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Density Functional ◽

Kinetic Energy Density ◽

Energy Density Functional ◽

Kinetic Energy Density Functional

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On the functional derivative of the kinetic energy density functional

The Journal of Chemical Physics ◽

10.1063/1.444409 ◽

1982 ◽

Vol 77 (9) ◽

pp. 4576-4585 ◽

Author(s):

L. J. Bartolotti ◽

P. K. Acharya

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Density Functional ◽

Functional Derivative ◽

Kinetic Energy Density ◽

Energy Density Functional ◽

Kinetic Energy Density Functional

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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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