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 ◽

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

Comparative study of the gradient expansion of the atomic kinetic energy functional‐neutral atoms

The Journal of Chemical Physics ◽

10.1063/1.438868 ◽

1980 ◽

Vol 72 (1) ◽

pp. 429-433 ◽

Author(s):

Danny R. Murphy ◽

Wen‐Ping Wang

Keyword(s):

Kinetic Energy ◽

Comparative Study ◽

Energy Functional ◽

Neutral Atoms ◽

Gradient Expansion ◽

Kinetic Energy Functional

Download Full-text

Density-gradient expansion of the kinetic-energy functional for molecules

Physical Review A ◽

10.1103/physreva.33.3506 ◽

1986 ◽

Vol 33 (5) ◽

pp. 3506-3507 ◽

Author(s):

Chengteh Lee ◽

Swapan K. Ghosh

Keyword(s):

Kinetic Energy ◽

Density Gradient ◽

Energy Functional ◽

Gradient Expansion ◽

Kinetic Energy Functional

Download Full-text

Introduction of the explicit long-range nonlocality as an alternative to the gradient expansion approximation for the kinetic-energy functional

Chemical Physics Letters ◽

10.1016/s0009-2614(02)00852-7 ◽

2002 ◽

Vol 360 (3-4) ◽

pp. 209-216 ◽

Author(s):

Fabien Tran ◽

Tomasz A. Wesołowski

Keyword(s):

Kinetic Energy ◽

Energy Functional ◽

Gradient Expansion ◽

Kinetic Energy Functional

Download Full-text

Comparative study of the gradient expansion of the atomic kinetic energy functional–isoelectronic series

The Journal of Chemical Physics ◽

10.1063/1.439890 ◽

1980 ◽

Vol 73 (1) ◽

pp. 416-418 ◽

Author(s):

Wen‐Ping Wang

Keyword(s):

Kinetic Energy ◽

Comparative Study ◽

Energy Functional ◽

Gradient Expansion ◽

Isoelectronic Series ◽

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 ◽

Author(s):

M L Plumer ◽

D J W Geldart

Keyword(s):

Kinetic Energy ◽

Energy Functional ◽

Local Approximations ◽

Kinetic Energy Functional ◽

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 ◽

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) ◽

Author(s):

Thomas Pope ◽

Werner Hofer

Keyword(s):

Kinetic Energy ◽

Energy Functional ◽

Electron Systems ◽

Kinetic Energy Functional ◽

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) ◽

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 ◽

Author(s):

Ken Ohwada

Keyword(s):

Density Functional Theory ◽

Kinetic Energy ◽

Density Functional ◽

Energy Functional ◽

Functional Theory ◽

Kinetic Energy Functional

Download Full-text