### Abstract

In earlier work (Phys. Rev. A, 55, 3465, 1997) one of us (A.N.) has related the exchange-only potential designed to reproduce the Hartree-Fock density to the sum of the Slater potential and a term involving the difference between the eigenvalues of the Hartree-Fock (HF) and Kohn-Sham (KS) wave functions. Here, a consequence of this approximate theory is derived that relates the total exchange energy to its functional derivative and to the difference ΔE(s) between the eigenvalue sums of the HF and KS schemes.

Original language | English |
---|---|

Pages (from-to) | 671-676 |

Number of pages | 6 |

Journal | Physics and Chemistry of Liquids |

Volume | 37 |

Issue number | 6 |

Publication status | Published - 1999 |

### Fingerprint

### Keywords

- Exchange-only theory
- Inhomogeneous electron liquid

### ASJC Scopus subject areas

- Physical and Theoretical Chemistry
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics

### Cite this

**Exchange-only theory : Relation between exchange energy, its functional derivative and eigenvalue sums in an inhomogeneous electron liquid.** / Nagy, A.; March, N. H.

Research output: Contribution to journal › Article

*Physics and Chemistry of Liquids*, vol. 37, no. 6, pp. 671-676.

}

TY - JOUR

T1 - Exchange-only theory

T2 - Relation between exchange energy, its functional derivative and eigenvalue sums in an inhomogeneous electron liquid

AU - Nagy, A.

AU - March, N. H.

PY - 1999

Y1 - 1999

N2 - In earlier work (Phys. Rev. A, 55, 3465, 1997) one of us (A.N.) has related the exchange-only potential designed to reproduce the Hartree-Fock density to the sum of the Slater potential and a term involving the difference between the eigenvalues of the Hartree-Fock (HF) and Kohn-Sham (KS) wave functions. Here, a consequence of this approximate theory is derived that relates the total exchange energy to its functional derivative and to the difference ΔE(s) between the eigenvalue sums of the HF and KS schemes.

AB - In earlier work (Phys. Rev. A, 55, 3465, 1997) one of us (A.N.) has related the exchange-only potential designed to reproduce the Hartree-Fock density to the sum of the Slater potential and a term involving the difference between the eigenvalues of the Hartree-Fock (HF) and Kohn-Sham (KS) wave functions. Here, a consequence of this approximate theory is derived that relates the total exchange energy to its functional derivative and to the difference ΔE(s) between the eigenvalue sums of the HF and KS schemes.

KW - Exchange-only theory

KW - Inhomogeneous electron liquid

UR - http://www.scopus.com/inward/record.url?scp=0033506091&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0033506091&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0033506091

VL - 37

SP - 671

EP - 676

JO - Physics and Chemistry of Liquids

JF - Physics and Chemistry of Liquids

SN - 0031-9104

IS - 6

ER -