AN ATOMS IN MOLECULES APPROACH TO DENSITY FUNCTIONAL THEORY

被引：28

作者：

GUSE, MP

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1981年 / 75卷 / 02期

关键词：

D O I：

10.1063/1.442126

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：828 / 833

页数：6

共 23 条

[1] NONLOCAL APPROXIMATION TO EXCHANGE POTENTIAL AND KINETIC-ENERGY OF AN INHOMOGENEOUS ELECTRON-GAS [J].

ALONSO, JA ;

GIRIFALCO, LA .

PHYSICAL REVIEW B, 1978, 17 (10) :3735-3743

[2] CHARGE-TRANSFER AND HEAT OF FORMATION IN CSCL INTERMETALLIC COMPOUNDS [J].

ALONSO, JA ;

GIRIFALCO, LA .

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1978, 39 (01) :79-87

[3] THOMAS-FERMI-PSEUDOPOTENTIAL APPROACH FOR CALCULATING THE STATIC PROPERTIES OF SIMPLE METALS [J].

CHELIKOWSKY, JR .

PHYSICAL REVIEW B, 1980, 21 (08) :3074-3086

[4] ENERGY DENSITY FUNCTIONAL-PSEUDOPOTENTIAL METHOD FOR CALCULATING THE COHESIVE PROPERTIES OF METALS [J].

CHELIKOWSKY, JR .

SOLID STATE COMMUNICATIONS, 1979, 31 (01) :19-23

[5] CHARGE-TRANSFER IN ALLOYS [J].

CRAGG, DM ;

FLETCHER, GC .

JOURNAL OF PHYSICS F-METAL PHYSICS, 1977, 7 (01) :87-96

[6] BINDING-ENERGY CALCULATIONS FOR METAL AGGREGATES [J].

GOLLISCH, H ;

FRITSCHE, L .

ZEITSCHRIFT FUR PHYSIK B-CONDENSED MATTER, 1979, 33 (01) :13-20

[7] DENSITY FUNCTIONAL-APPROACH TO POINT-DEFECT PROPERTIES OF COPPER-GERMANIUM ALLOYS [J].

GOLLISCH, H .

PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1979, 96 (01) :225-231

[8] EXCHANGE AND CORRELATION IN ATOMS, MOLECULES, AND SOLIDS BY SPIN-DENSITY FUNCTIONAL FORMALISM [J].

GUNNARSSON, O ;

LUNDQVIST, BI .

PHYSICAL REVIEW B, 1976, 13 (10) :4274-4298

[9] INHOMOGENEOUS ELECTRON-GAS [J].

RAJAGOPAL, AK ;

CALLAWAY, J .

PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919

[10] LOCAL DENSITY FUNCTIONAL FOR KINETIC-ENERGY [J].

HUNTINGTON, HB .

PHYSICAL REVIEW B, 1979, 20 (08) :3165-3171

← 1 2 3 →