GRADIENT CORRECTIONS IN ENERGY DENSITY FUNCTIONAL

被引：25

作者：

ALONSO, JA ^{[1
]}

GIRIFALCO, LA ^{[1
]}

机构：

[1] UNIV PENN, RES STRUCT MATTER LAB, PHILADELPHIA, PA 19104 USA

来源：

CHEMICAL PHYSICS LETTERS | 1978年 / 53卷 / 01期

关键词：

D O I：

10.1016/0009-2614(78)80421-7

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：190 / 191

页数：2

共 19 条

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ALONSO, JA ;

SANTOS, E .

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[2] CHARGE-TRANSFER IN BINARY-ALLOYS AND TO IMPURITIES IN IRON [J].

ALONSO, JA ;

GIRIFALCO, LA .

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GORDON, RG .

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[6] MODIFIED ELECTRON-GAS STUDY OF STABILITY, ELASTIC PROPERTIES, AND HIGH-PRESSURE BEHAVIOR OF MGO AND CAO CRYSTALS [J].

COHEN, AJ ;

GORDON, RG .

PHYSICAL REVIEW B, 1976, 14 (10) :4593-4605

[7] THEORY FOR FORCES BETWEEN CLOSED-SHELL ATOMS AND MOLECULES [J].

GORDON, RG ;

KIM, YS .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (06) :3122-&

[8] DENSITY FUNCTIONAL THEORY OF INTERACTING CLOSED SHELL SYSTEMS .2. DETERMINATION OF CHARGE-DENSITIES AND HELLMAN-FEYNMAN THEOREM [J].

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JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (09) :3601-3604

[9] DENSITY FUNCTIONAL THEORY OF VANDERWAALS FORCES [J].

HARRIS, RA .

CHEMICAL PHYSICS LETTERS, 1975, 33 (03) :495-498

[10] DENSITY FUNCTIONAL FORMULATION OF COLLISIONAL POLARIZABILITIES - APPLICATION TO HOMONUCLEAR NOBLE-GAS DIATOMS [J].

HELLER, DF ;

HARRIS, RA ;

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JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (05) :1947-1953

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