Correlation energy of the neon atom

被引：57

作者：

Nesbet, R. K. ^{[1
]}

Barr, T. L. ^{[2
]}

Davidson, E. R. ^{[2
]}

机构：

[1] IBM Res Lab, San Jose, CA 95114 USA

[2] Univ Washington, Dept Chem, Seattle, WA 98105 USA

来源：

CHEMICAL PHYSICS LETTERS | 1969年 / 4卷 / 04期

关键词：

D O I：

10.1016/0009-2614(69)80101-6

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：

Pair correlation energies for the L-shell of Ne(S-1) are computed using an extended orbital basis set that includes spherical harmonics up to l = 6. The sum of pair energies is computed to be 105.2% of the empirical correlation energy. This result is expected to be close to the true variational limit.

引用

页码：203 / 204

页数：2

共 13 条

[1] BARR TL, IN PRESS PHYS REV
[2] NUCLEAR SATURATION AND 2-BODY FORCES .2. TENSOR FORCES
BRUECKNER, KA
[J]. PHYSICAL REVIEW, 1954, 96 (02): : 508 - 516
[3] MANY-BODY PROBLEM FOR STRONGLY INTERACTING PARTICLES .2. LINKED CLUSTER EXPANSION
BRUECKNER, KA
[J]. PHYSICAL REVIEW, 1955, 100 (01): : 36 - 45
[4] 2-BODY FORCES AND NUCLEAR SATURATION .3. DETAILS OF THE STRUCTURE OF THE NUCLEUS
BRUECKNER, KA
[J]. PHYSICAL REVIEW, 1955, 97 (05): : 1353 - 1366
[5] BRUECKNER KA, 1959, MANY BODY PROBLEM, P47
[6] CORRELATION ENERGY FOR ATOMIC SYSTEMS
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (09) : 2248 - &
[7] RELATIVISTIC CORRECTION FOR ANALYTIC HARTREE-FOCK WAVE FUNCTIONS
HARTMANN, H
CLEMENTI, E
[J]. PHYSICAL REVIEW A-GENERAL PHYSICS, 1964, 133 (5A): : 1295 - &
[8] Nesbet R. K., 1969, ADV CHEM PHYS, V14, P1, DOI 10.1002/9780470143599.ch1
[9] ATOMIC BETHE-GOLDSTONE EQUATIONS .3. CORRELATION ENERGIES OF GROUND STATES OF BE,B,C,N,O,F, AND NE
NESBET, RK
[J]. PHYSICAL REVIEW, 1968, 175 (01): : 2 - &
[10] NESBET RK, 1967, PHYS REV, V155, P56, DOI 10.1103/PhysRev.155.56

← 1 2 →