Nonlocal orbital-free kinetic energy density functional for semiconductors

Chen Huang; Emily A. Carter

doi:10.1103/physrevb.81.045206

Nonlocal orbital-free kinetic energy density functional for semiconductors

Physical Review B ◽

10.1103/physrevb.81.045206 ◽

2010 ◽

Vol 81 (4) ◽

Cited By ~ 88

Author(s):

Chen Huang ◽

Emily A. Carter

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Density Functional ◽

Kinetic Energy Density ◽

Energy Density Functional ◽

Kinetic Energy Density Functional ◽

Orbital Free

Download Full-text

Nonlocal kinetic energy density functional via line integrals and its application to orbital-free density functional theory

Physical Review B ◽

10.1103/physrevb.100.205132 ◽

2019 ◽

Vol 100 (20) ◽

Cited By ~ 1

Author(s):

Qiang Xu ◽

Yanchao Wang ◽

Yanming Ma

Keyword(s):

Density Functional Theory ◽

Energy Density ◽

Kinetic Energy ◽

Density Functional ◽

Kinetic Energy Density ◽

Energy Density Functional ◽

Functional Theory ◽

Kinetic Energy Density Functional ◽

Orbital Free

Download Full-text

Orbital-Free Kinetic-Energy Density Functional Theory

Theoretical Methods in Condensed Phase Chemistry - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-46949-9_5 ◽

2005 ◽

pp. 117-184 ◽

Cited By ~ 30

Author(s):

Yan Alexander Wang ◽

Emily A. Carter

Keyword(s):

Density Functional Theory ◽

Energy Density ◽

Kinetic Energy ◽

Density Functional ◽

Kinetic Energy Density ◽

Energy Density Functional ◽

Functional Theory ◽

Kinetic Energy Density Functional ◽

Orbital Free

Download Full-text

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

Download Full-text

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 ◽

Cited By ~ 1

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

Download Full-text

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) ◽

Cited By ~ 5

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

Download Full-text

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 ◽

Cited By ~ 125

Author(s):

D. R. Murphy

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Density Functional ◽

Order Term ◽

Sixth Order ◽

Kinetic Energy Density ◽

Energy Density Functional ◽

Gradient Expansion ◽

Kinetic Energy Density Functional

Download Full-text

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 ◽

Cited By ~ 19

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 ◽

New Form

Download Full-text

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

Physical Review B ◽

10.1103/physrevb.98.041111 ◽

2018 ◽

Vol 98 (4) ◽

Cited By ~ 20

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

Download Full-text

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 ◽

Cited By ~ 41

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

Download Full-text

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 ◽

Cited By ~ 43

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

Download Full-text