USE OF A NONLOCAL DENSITY APPROXIMATION FOR TRANSFORMATION FROM ELECTRON-DENSITY TO ELECTRON MOMENTUM DENSITY

被引：11

作者：

GADRE, SR

CHAKRAVORTY, SJ

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1987年 / 86卷 / 04期

关键词：

D O I：

10.1063/1.452120

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：2224 / 2228

页数：5

共 30 条

[1] AN ATOMIC KINETIC-ENERGY FUNCTIONAL WITH FULL WEIZSACKER CORRECTION [J].

ACHARYA, PK ;

BARTOLOTTI, LJ ;

SEARS, SB ;

PARR, RG .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA-PHYSICAL SCIENCES, 1980, 77 (12) :6978-6982

[2] LOCAL DENSITY APPROXIMATIONS TO MOMENTS OF MOMENTUM OF DIATOMIC-MOLECULES WITH HARTREE-FOCK-ROOTHAAN QUALITY ELECTRON DISTRIBUTIONS [J].

ALLAN, NL ;

COOPER, DL ;

WEST, CG ;

GROUT, PJ ;

MARCH, NH .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (01) :239-240

[3] NONLOCAL APPROXIMATION TO EXCHANGE ENERGY OF NON-HOMOGENOUS ELECTRON-GAS [J].

ALONSO, JA ;

GIRIFALCO, LA .

SOLID STATE COMMUNICATIONS, 1977, 24 (02) :135-138

[4] 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

[5] NONLOCAL DENSITY FUNCTIONAL CALCULATION OF THE ELECTRON-AFFINITY OF ATOMS [J].

BALBAS, LC ;

BORSTEL, G ;

ALONSO, JA .

PHYSICS LETTERS A, 1986, 114 (05) :236-240

[6] GENERAL OPERATOR GROUND-STATE EXPECTATION VALUES IN THE HOHENBERG-KOHN-SHAM DENSITY-FUNCTIONAL FORMALISM [J].

BAUER, GEW .

PHYSICAL REVIEW B, 1983, 27 (10) :5912-5918

[7] DENSITY-FUNCTIONAL THEORY OF THE COMPTON PROFILES OF BERYLLIUM METAL [J].

BAUER, GEW ;

SCHNEIDER, JR .

SOLID STATE COMMUNICATIONS, 1983, 47 (09) :673-676

[8]

BENESCH R, 1973, WAVE MECHANICS 1ST 5

[9]

Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1

[10] ELECTRON CORRELATION IN GROUND STATE OF HELIUM [J].

COULSON, CA ;

NEILSON, AH .

PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1961, 78 (504) :831-&

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