Revised Huang-Carter nonlocal kinetic energy functional for semiconductors and their surfaces

Xuecheng Shao; Wenhui Mi; Michele Pavanello

doi:10.1103/physrevb.104.045118

Revised Huang-Carter nonlocal kinetic energy functional for semiconductors and their surfaces

Physical Review B ◽

10.1103/physrevb.104.045118 ◽

2021 ◽

Vol 104 (4) ◽

Author(s):

Xuecheng Shao ◽

Wenhui Mi ◽

Michele Pavanello

Keyword(s):

Kinetic Energy ◽

Energy Functional ◽

Kinetic Energy Functional

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

Coupling-constant expression and exact relations for the kinetic-energy functional in pair-density-functional theory

Physical Review A ◽

10.1103/physreva.85.062508 ◽

2012 ◽

Vol 85 (6) ◽

Cited By ~ 7

Author(s):

Katsuhiko Higuchi ◽

Masahiko Higuchi

Keyword(s):

Density Functional Theory ◽

Kinetic Energy ◽

Density Functional ◽

Energy Functional ◽

Coupling Constant ◽

Functional Theory ◽

Pair Density ◽

Kinetic Energy Functional ◽

Exact Relations ◽

Constant Expression

Download Full-text

Atomic kinetic energy functional in density functional theory

The Journal of Chemical Physics ◽

10.1063/1.444883 ◽

1983 ◽

Vol 78 (3) ◽

pp. 1414-1419 ◽

Cited By ~ 5

Author(s):

Ken Ohwada

Keyword(s):

Density Functional Theory ◽

Kinetic Energy ◽

Density Functional ◽

Energy Functional ◽

Functional Theory ◽

Kinetic Energy Functional

Download Full-text

Gradient expansion of the atomic kinetic energy functional

Chemical Physics Letters ◽

10.1016/0009-2614(76)80588-x ◽

1976 ◽

Vol 43 (3) ◽

pp. 409-412 ◽

Cited By ~ 91

Author(s):

Wen-Ping Wang ◽

Robert G. Parr ◽

Danny R. Murphy ◽

George A. Henderson

Keyword(s):

Kinetic Energy ◽

Energy Functional ◽

Gradient Expansion ◽

Kinetic Energy Functional

Download Full-text

Response function analysis of excited-state kinetic energy functional constructed by splitting k-space

The European Physical Journal D ◽

10.1140/epjd/e2012-20677-4 ◽

2012 ◽

Vol 66 (2) ◽

Cited By ~ 3

Author(s):

M. Hemanadhan ◽

M. K. Harbola

Keyword(s):

Excited State ◽

Kinetic Energy ◽

Response Function ◽

Function Analysis ◽

Energy Functional ◽

Kinetic Energy Functional ◽

State Kinetic

Download Full-text

Kinetic energy functional for a two-dimensional electron system

Physical Review B ◽

10.1103/physrevb.76.195103 ◽

2007 ◽

Vol 76 (19) ◽

Cited By ~ 12

Author(s):

M. Koivisto ◽

M. J. Stott

Keyword(s):

Kinetic Energy ◽

Electron System ◽

Energy Functional ◽

Two Dimensional ◽

Dimensional Electron ◽

Dimensional Electron System ◽

Kinetic Energy Functional

Download Full-text

Variational study of a new approximation for the kinetic energy functional

Chemical Physics Letters ◽

10.1016/0009-2614(92)90028-l ◽

1992 ◽

Vol 188 (3-4) ◽

pp. 310-314

Author(s):

M.D. Glossman

Keyword(s):

Kinetic Energy ◽

Energy Functional ◽

Kinetic Energy Functional ◽

Variational Study

Download Full-text