RELATIVISTIC EFFECTS ON THE CONTRIBUTION OF THE LOCAL-SPIN-DENSITY CORRELATION-ENERGY TO IONIZATION-POTENTIALS

被引：19

作者：

SAVIN, A

SCHWERDTFEGER, P

PREUSS, H

SILBERBACH, H

STOLL, H

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1983年 / 98卷 / 03期

关键词：

D O I：

10.1016/0009-2614(83)87155-3

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：226 / 228

页数：3

共 10 条

[1] MULTICONFIGURATION RELATIVISTIC DIRAC-FOCK PROGRAM [J].

DESCLAUX, JP .

COMPUTER PHYSICS COMMUNICATIONS, 1975, 9 (01) :31-45

[2] CORE POLARIZATION, RELAXATION, AND RELATIVISTIC EFFECTS IN THE 1ST IONIZATION-POTENTIALS FOR SOME SYSTEMS IN CU, AG, AND AU ISOELECTRONIC-SEQUENCES [J].

MIGDALEK, J ;

BAYLIS, WE .

CANADIAN JOURNAL OF PHYSICS, 1982, 60 (09) :1317-1322

[3]

MOORE CE, 1949, NBS467 CIRC

[4] SELF-INTERACTION CORRECTION TO DENSITY-FUNCTIONAL APPROXIMATIONS FOR MANY-ELECTRON SYSTEMS [J].

PERDEW, JP ;

ZUNGER, A .

PHYSICAL REVIEW B, 1981, 23 (10) :5048-5079

[5] INHOMOGENEOUS RELATIVISTIC ELECTRON-GAS - CORRELATION POTENTIAL [J].

RAMANA, MV ;

RAJAGOPAL, AK .

PHYSICAL REVIEW A, 1981, 24 (04) :1689-1695

[6] THE CORRELATED ELECTRON-DENSITY OF THE LI ATOM - A TEST FOR DENSITY FUNCTIONALS AND SEMI-EMPIRICAL PSEUDOPOTENTIALS [J].

SAVIN, A ;

WEDIG, U ;

STOLL, H ;

PREUSS, H .

CHEMICAL PHYSICS LETTERS, 1982, 92 (05) :503-508

[7]

SAVIN AM, UNPUB

[8] CALCULATION OF CORRELATION ENERGIES IN SPIN-DENSITY FUNCTIONAL FORMALISM [J].

STOLL, H ;

PAVLIDOU, CME ;

PREUSS, H .

THEORETICA CHIMICA ACTA, 1978, 49 (02) :143-149

[9] LOCAL EXCHANGE-CORRELATION POTENTIAL FOR SPIN POLARIZED CASE .1. [J].

VONBARTH, U ;

HEDIN, L .

JOURNAL OF PHYSICS PART C SOLID STATE PHYSICS, 1972, 5 (13) :1629-+

[10] ACCURATE SPIN-DEPENDENT ELECTRON LIQUID CORRELATION ENERGIES FOR LOCAL SPIN-DENSITY CALCULATIONS - A CRITICAL ANALYSIS [J].

VOSKO, SH ;

WILK, L ;

NUSAIR, M .

CANADIAN JOURNAL OF PHYSICS, 1980, 58 (08) :1200-1211

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