DENSITY-FUNCTIONAL THEORY OF THE CORRELATION-ENERGY IN ATOMS AND IONS - A SIMPLE ANALYTIC MODEL AND A CHALLENGE

被引：127

作者：

PERDEW, JP

MCMULLEN, ER

ZUNGER, A

机构：

[1] TULANE UNIV,QUANTUM THEORY GRP,NEW ORLEANS,LA 70118

[2] SOLAR ENERGY RES INST,GOLDEN,CO 80401

[3] UNIV COLORADO,BOULDER,CO 80302

[4] DELGADO COMMUNITY COLL,NEW ORLEANS,LA 70119

来源：

PHYSICAL REVIEW A | 1981年 / 23卷 / 06期

关键词：

D O I：

10.1103/PhysRevA.23.2785

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

引用

页码：2785 / 2789

页数：5

共 50 条

[31] Second-order perturbative correlation energy functional in the ensemble density-functional theory
Yang, Zeng-hui
PHYSICAL REVIEW A, 2021, 104 (05)
[32] Higher ionization energies of atoms in density-functional theory
Argaman, Uri
Makov, Guy
Kraisler, Eli
PHYSICAL REVIEW A, 2013, 88 (04)
[33] A CORRELATION-ENERGY FUNCTIONAL FROM A CORRELATION-FACTOR MODEL
FUENTEALBA, P
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1994, 49 (04) : 549 - 557
[34] SIMPLE DENSITY FUNCTIONAL THEORY OF THE ELECTRONEGATIVITY AND OTHER RELATED PROPERTIES OF ATOMS AND IONS
ALONSO, JA
BALBAS, LC
STRUCTURE AND BONDING, 1987, 66 : 41 - 78
[35] THE EFFECT OF AN IMPROVED LOCAL SPIN-DENSITY CORRELATION-ENERGY FUNCTIONAL ON TOTAL AND IONIZATION ENERGIES OF ATOMS
VOSKO, SH
WILK, L
BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1981, 26 (03): : 471 - 471
[36] Density-functional calculations for rare-earth atoms and ions
Forstreuter, J
Steinbeck, L
Richter, M
Eschrig, H
PHYSICAL REVIEW B, 1997, 55 (15): : 9415 - 9421
[37] A COMBINATION OF THE WORK FORMALISM FOR EXCHANGE WITH AN OPTIMIZED CORRELATION-ENERGY FUNCTIONAL FOR ATOMS
CORDERO, NA
SEN, KD
ALONSO, JA
BALBAS, LC
JOURNAL DE PHYSIQUE II, 1995, 5 (09): : 1277 - 1287
[38] NONLOCAL CORRECTIONS TO CORRELATION-ENERGY WITHIN THE DENSITY FUNCTIONAL APPROXIMATION
ZOLOTUKHINA, TN
DMITRIEVA, IK
CHEMICAL PHYSICS LETTERS, 1989, 164 (05) : 480 - 484
[39] Weight dependence of the exchange-correlation energy in ensemble density-functional theory
Fromager, Emmanuel
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 255
[40] HIERARCHY OF EQUATIONS FOR THE ENERGY FUNCTIONAL OF THE DENSITY-FUNCTIONAL THEORY
NAGY, A
PHYSICAL REVIEW A, 1993, 47 (04): : 2715 - 2719

← 1 2 3 4 5 →