Electron confinement: Models of kinetic and exchange energy functionals

A reexamination of exchange energy functionals

The Journal of Chemical Physics ◽

10.1063/1.479954 ◽

1999 ◽

Vol 111 (13) ◽

pp. 5656-5667 ◽

Cited By ~ 19

Author(s):

Takao Tsuneda ◽

Toshihisa Suzumura ◽

Kimihiko Hirao

Keyword(s):

Exchange Energy ◽

Energy Functionals

Download Full-text

Exchange energy functionals based on the density matrix expansion of the Hartree-Fock exchange term

Molecular Physics ◽

10.1080/002689797170347 ◽

1997 ◽

Vol 92 (3) ◽

pp. 601-608 ◽

Cited By ~ 10

Author(s):

By TROY VAN VOORHIS GUSTAVO E. SCUS

Keyword(s):

Density Matrix ◽

Exchange Energy ◽

Exchange Term ◽

Energy Functionals ◽

Hartree Fock ◽

Matrix Expansion

Download Full-text

Atomic kinetic- and exchange-energy functionals by means of local-scaling transformations

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1998)69:4<503::aid-qua7>3.0.co;2-z ◽

1998 ◽

Vol 69 (4) ◽

pp. 503-512 ◽

Cited By ~ 8

Author(s):

R. L�pez-Boada ◽

V. Karasiev ◽

E. V. Lude�a ◽

R. Colle

Keyword(s):

Exchange Energy ◽

Local Scaling ◽

Energy Functionals

Download Full-text

Rational function representation for accurate exchange energy functionals

The Journal of Chemical Physics ◽

10.1063/1.452230 ◽

1987 ◽

Vol 86 (3) ◽

pp. 1425-1428 ◽

Cited By ~ 64

Author(s):

Andrew E. DePristo ◽

Joel D. Kress

Keyword(s):

Rational Function ◽

Exchange Energy ◽

Function Representation ◽

Energy Functionals

Download Full-text

A variational density-functional calculation of the total atomic binding energy with recently proposed kinetic-energy and exchange-energy functionals

International Journal of Quantum Chemistry ◽

10.1002/qua.560360861 ◽

2009 ◽

Vol 36 (S23) ◽

pp. 591-597

Author(s):

P. Csavinszky

Keyword(s):

Binding Energy ◽

Kinetic Energy ◽

Density Functional ◽

Exchange Energy ◽

Density Functional Calculation ◽

Energy Functionals ◽

Atomic Binding Energy

Download Full-text

Gradient approximated exchange energy functionals with improved performances for two-dimensional quantum dot systems

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2017.11.019 ◽

2018 ◽

Vol 97 ◽

pp. 268-276 ◽

Cited By ~ 8

Author(s):

Subrata Jana ◽

Abhilash Patra ◽

Prasanjit Samal

Keyword(s):

Quantum Dot ◽

Exchange Energy ◽

Two Dimensional ◽

Energy Functionals

Download Full-text

Exchange-Only Energy Functionals from Atomic Exchange Energy Densities

Condensed Matter Theories ◽

10.1007/978-1-4613-0917-8_12 ◽

1987 ◽

pp. 101-111 ◽

Cited By ~ 3

Author(s):

S. H. Vosko ◽

L. D. Macdonald

Keyword(s):

Exchange Energy ◽

Energy Functionals ◽

Atomic Exchange

Download Full-text

Explicit Functionals I: Kinetic and Exchange Energy Functionals Derived from the One-Particle Density Matrix

Density Functional Theory ◽

10.1007/978-3-642-86105-5_5 ◽

1990 ◽

pp. 75-137 ◽

Cited By ~ 1

Author(s):

Reiner M. Dreizler ◽

Eberhard K. U. Gross

Keyword(s):

Density Matrix ◽

Particle Density ◽

Exchange Energy ◽

Energy Functionals ◽

The One

Download Full-text

The Functional Equations for the Kinetic and Exchange Energy Functionals

physica status solidi (b) ◽

10.1002/pssb.2221580219 ◽

1990 ◽

Vol 158 (2) ◽

pp. 573-587

Author(s):

G. Baumann ◽

R. Duscher

Keyword(s):

Functional Equations ◽

Exchange Energy ◽

Energy Functionals

Download Full-text

Relativistic short-range exchange energy functionals beyond the local-density approximation

The Journal of Chemical Physics ◽

10.1063/5.0004926 ◽

2020 ◽

Vol 152 (21) ◽

pp. 214106 ◽

Cited By ~ 1

Author(s):

Julien Paquier ◽

Emmanuel Giner ◽

Julien Toulouse

Keyword(s):

Local Density Approximation ◽

Short Range ◽

Local Density ◽

Exchange Energy ◽

Density Approximation ◽

Energy Functionals

Download Full-text