GROUND-STATE CORRELATION ENERGIES FOR 2-ELECTRON TO 10-ELECTRON ATOMIC IONS

被引：357

作者：

DAVIDSON, ER ^{[1
]}

HAGSTROM, SA ^{[1
]}

CHAKRAVORTY, SJ ^{[1
]}

UMAR, VM ^{[1
]}

FISCHER, CF ^{[1
]}

机构：

[1] VANDERBILT UNIV, DEPT COMP SCI, NASHVILLE, TN 37235 USA

来源：

PHYSICAL REVIEW A | 1991年 / 44卷 / 11期

关键词：

D O I：

10.1103/PhysRevA.44.7071

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Improved estimates of the nonrelativistic stationary nucleus correlation energies of the ground-state atomic ions with three to ten electrons and Z up to 20 are derived by combining experimental data and improved ab initio calculations. Unlike previous work in this area, we focus on the correlation contribution to individual ionization energies, computed by comparing experimental data with relativistic complete-valence-space Hartree-Fock energies.

引用

页码：7071 / 7083

页数：13

共 59 条

[1]

ADAMS BG, 1983, INT J QUANTUM CHEM, P297

[2] PAIR CORRELATION ENERGIES [J].

ALLEN, LC ;

CLEMENTI, E ;

GLADNEY, HM .

REVIEWS OF MODERN PHYSICS, 1963, 35 (03) :465-&

[3] RELATIVISTIC EFFECT ON TOTAL ENERGIES FOR DETERMINATION OF CORRELATION ENERGIES OF ATOMS FROM THEIR EXPERIMENTAL TOTAL ENERGIES [J].

ANNO, T ;

TERUYA, H .

JOURNAL OF CHEMICAL PHYSICS, 1989, 91 (08) :4738-4744

[4] NATURE OF CONFIGURATION-INTERACTION METHOD IN AB-INITIO CALCULATIONS .1. NE GROUND STATE [J].

BARR, TL ;

DAVIDSON, ER .

PHYSICAL REVIEW A, 1970, 1 (03) :644-&

[5] ACCURATE DETERMINATION OF TOTAL ELECTRONIC-ENERGY OF BERYLLIUM GROUND-STATE [J].

BUNGE, CF .

PHYSICAL REVIEW A, 1976, 14 (06) :1965-1978

[6]

BYALL KG, 1989, COMPUT PHYS COMMUN, V55, P425

[7] CORRELATION EFFECTS IN ATOMS .3. 4-ELECTRON SYSTEMS [J].

BYRON, FW ;

JOACHAIN, CJ .

PHYSICAL REVIEW, 1967, 157 (01) :7-&

[8] CORRELATION ENERGY FOR ATOMIC SYSTEMS [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (09) :2248-&

[9] AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES [J].

CLEMENTI, E .

IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) :2-&

[10] CORRELATION ENERGY IN ATOMIC SYSTEMS .4. DEGENERACY EFFECTS [J].

CLEMENTI, E ;

VEILLARD, A .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (08) :3050-&

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