MULTICONFIGURATION HARTREE-FOCK CALCULATIONS .2. CALCULATION OF LOWEST 3P 1D AND 1S STATES OF CARBON ATOM

被引：20

作者：

BAGUS, PS

BESSIS, N

MOSER, CM

机构：

[1] Department of Physics, University of Chicago, Chicago

[2] Centre de Mécanique Ondulatoire Appliquée, Paris 19e

[3] IBM Corporation, San José

来源：

PHYSICAL REVIEW | 1969年 / 179卷 / 01期

关键词：

D O I：

10.1103/PhysRev.179.39

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Multiconfiguration Hartree-Fock (MCHF) functions for the lowest P3, D1, and S1 states of carbon are given which include the Hartree-Fock configuration 1s22p4, the 1s22s23l3l′, l, l′=0,a.

引用

页码：39 / &

共 11 条

[1]

[Anonymous], 1949, 467 NAT BUR STAND

[2] CALCULATION OF ENERGY LEVELS WHICH ARISE FROM P2 CONFIGURATION OF GROUND STATE OF CARBON . MULTICONFIGURATION HARTREE-FOCK CALCULATIONS [J].

BAGUS, PS ;

MOSER, CM .

PHYSICAL REVIEW, 1968, 167 (01) :13-&

[3]

HARTREE DR, 1939, PHILOS T ROY SOC LON, VA238, P223

[4]

JUCYS AP, TO BE PUBLISHED

[5] MANY-BODY PERTURBATION THEORY APPLIED TO ATOMS [J].

KELLY, HP .

PHYSICAL REVIEW B, 1964, 136 (3B) :B896-&

[6] MANY-ELECTRON THEORY OF ATOMS + MOLECULES .V. FIRST-ROW ATOMS + THEIR IONS [J].

MCKOY, V ;

SINANOGLU, O .

JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (09) :2689-&

[7] ELECTRONIC STRUCTURE OF ATOMIC BORON [J].

SCHAEFER, HF ;

HARRIS, FE .

PHYSICAL REVIEW, 1968, 167 (01) :67-&

[8] PERTURBATION ENERGY COEFFICIENTS AND IONIZATION POTENTIALS OF GROUND STATE OF 3-ELECTRON TO 10-ELECTRON ISOELECTRONIC ATOMIC SERIES [J].

SCHERR, CW ;

SILVERMAN, JN ;

MATSEN, FA .

PHYSICAL REVIEW, 1962, 127 (03) :830-&

[9] MANY-ELECTRON THEORY OF NONCLOSED-SHELL ATOMS AND MOLECULES .I. ORBITAL WAVEFUNCTION AND PERTURBATION THEORY [J].

SILVERSTONE, HJ ;

SINANOGL.O .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) :1899-+

[10]

SILVERSTONE HJ, TO BE PUBLISHED

← 1 2 →