Solution of the Hartree-Fock first-order equation for the helium atom

被引：9

作者：

Winter, Nicholas W. ^{[1
]}

McKoy, Vincent ^{[2
]}

Laferriere, Arthur ^{[2
]}

机构：

[1] Battelle Mem Inst, Columbus, OH 43201 USA

[2] CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA

来源：

CHEMICAL PHYSICS LETTERS | 1970年 / 6卷 / 03期

关键词：

D O I：

10.1016/0009-2614(70)80210-X

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 first-order equation for the ground state of the helium atom has been solved numerically. The perturbation energies and several one-electron properties are presented and compared to variational results. Since the method is not variational, the first-order solutions for excited states can be obtained easily with this approach.

引用

收藏

页码：175 / 179

页数：5

相关论文

共 11 条

[1] CORRELATION EFFECTS IN ATOMS .2. ANGULAR CORRELATIONS BETWEEN ELECTRONS [J].

BYRON, FW ;

JOACHAIN, CJ .

PHYSICAL REVIEW, 1967, 157 (01) :1-&

[2] CORRELATION EFFECTS IN ATOMS .I. HELIUM [J].

BYRON, FW ;

JOACHAIN, CJ .

PHYSICAL REVIEW, 1966, 146 (01) :1-&

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

CLEMENTI, E .

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

[4] 1 IS, 2 1S AND 2 3S STATES OF H- AND OF HE [J].

PEKERIS, CL .

PHYSICAL REVIEW, 1962, 126 (04) :1470-&

[5] HARTREE-FOCK APPROXIMATION TO (NS2)1S AUTOIONIZING STATES OF HELIUM [J].

RAMAKER, DE ;

STEVENSO.RB ;

SCHRADER, DM .

JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (12) :5276-&

[6] The deferred approach to the limit. Part I. Single lattice. Part II. Interpenetrating lattices. [J].

Richardson, LF ;

Gaunt, JA .

PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-CONTAINING PAPERS OF A MATHEMATICAL OR PHYSICAL CHARACTER, 1927, 226 :299-361

[7] THEORY OF ELECTRON CORRELATION IN ATOMS AND MOLECULES [J].

SINANOGLU, O .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1961, 260 (1300) :379-+

[8]

Sinanoglu O., 1968, ADV CHEM PHYS, V14, P237

[9] CONFIGURATION INTERACTION IN SIMPLE ATOMIC SYSTEMS [J].

WEISS, AW .

PHYSICAL REVIEW, 1961, 122 (06) :1826-&

[10] FIRST-ORDER PERTURBATION CORRECTIONS TO HARTREE-FOCK APPROXIMATION FOR HELIUM [J].

WEISS, AW ;

MARTIN, JB .

PHYSICAL REVIEW, 1963, 132 (05) :2118-&