CHEMICAL-POTENTIAL AND ELECTRONEGATIVITY IN TERMS OF ELECTRON-DENSITY

被引：20

作者：

MARCH, NH

机构：

[1] Theoretical Chemistry Department, University of Oxford, Oxford OX1 3TG

来源：

JOURNAL OF CHEMICAL PHYSICS | 1979年 / 71卷 / 02期

关键词：

D O I：

10.1063/1.438393

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：

The chemical potential, and hence according to the recent work of Parr et al. the absolute magnitude of electronegativity, is expressed explicitly in terms of quadratures on the electron density by employing gradient expansions. © 1979 American Institute of Physics.

引用

页码：1004 / 1006

页数：3

共 18 条

[1] BEATTIE AM, 1972, P ROY SOC A, V326, P97
[2] Dirac PAM, 1930, P CAMB PHILOS SOC, V26, P376
[3] EXCHANGE AND CORRELATION ENERGY OF AN INHOMOGENEOUS ELECTRON-GAS AT METALLIC DENSITIES
GELDART, DJW
RASOLT, M
[J]. PHYSICAL REVIEW B, 1976, 13 (04): : 1477 - 1488
[4] THEORY FOR FORCES BETWEEN CLOSED-SHELL ATOMS AND MOLECULES
GORDON, RG
KIM, YS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (06) : 3122 - &
[5] IMPROVED STATISTICAL EXCHANGE APPROXIMATION FOR INHOMOGENEOUS MANY-ELECTRON SYSTEMS
HERMAN, F
VANDYKE, JP
ORTENBUR.IB
[J]. PHYSICAL REVIEW LETTERS, 1969, 22 (16) : 807 - &
[6] QUANTUM CORRECTIONS TO THOMAS-FERMI APPROXIMATION - KIRZHNITS METHOD
HODGES, CH
[J]. CANADIAN JOURNAL OF PHYSICS, 1973, 51 (13) : 1428 - 1437
[7] INHOMOGENEOUS ELECTRON-GAS
RAJAGOPAL, AK
CALLAWAY, J
[J]. PHYSICAL REVIEW B, 1973, 7 (05) : 1912 - 1919
[8] GRADIENT TERM IN KOHN-SHAM EXCHANGE-CORRELATION POTENTIAL
KLEINMAN, L
[J]. PHYSICAL REVIEW B, 1974, 10 (06): : 2221 - 2225
[9] SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS
KOHN, W
SHAM, LJ
[J]. PHYSICAL REVIEW, 1965, 140 (4A): : 1133 - &
[10] THE THOMAS-FERMI APPROXIMATION IN QUANTUM MECHANICS
MARCH, NH
[J]. ADVANCES IN PHYSICS, 1957, 6 (21) : 1 - 101

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