Numerical Solution of the (1s1s) and (1s2s) Hydrogenic Pair Equations

被引:14
作者
Winter, Nicholas W. [1 ]
McKoy, Vincent [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
PHYSICAL REVIEW A-GENERAL PHYSICS | 1970年 / 2卷 / 06期
关键词
D O I
10.1103/PhysRevA.2.2219
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The pair functions which determine the exact first-order wave function for the ground state of the three-electron atom have been found with the matrix finite-difference method. The second- and third-order energies for the (1s1s) (1)S, (1s2s) (3)S, and (1s2s) (1)S states of the two-electron atom are presented along with contour and perspective plots of the pair functions.
引用
收藏
页码:2219 / 2231
页数:13
相关论文
共 10 条
[1]  
BOLTON HC, 1956, P CAMBRIDGE PHIL SOC, V53, P150
[2]   CORRELATION EFFECTS IN ATOMS .2. ANGULAR CORRELATIONS BETWEEN ELECTRONS [J].
BYRON, FW ;
JOACHAIN, CJ .
PHYSICAL REVIEW, 1967, 157 (01) :1-&
[3]   CORRELATION ENERGIES OF SOME STATES OF 3-10 ELECTRON ATOMS [J].
KNIGHT, RE .
PHYSICAL REVIEW, 1969, 183 (01) :45-&
[4]   NUMERICAL SOLUTION OF QUANTUM-MECHANICAL PAIR EQUATIONS [J].
MCKOY, V ;
WINTER, NW .
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (12) :5514-&
[5]  
RICHARDSON LF, 1927, T R SOC LOND A, V226, P299
[6]   2-ELECTRON ATOMS .3. A SIXTH-ORDER PERTURBATION STUDY OF 11S GROUND STATE [J].
SCHERR, CW ;
KNIGHT, RE .
REVIEWS OF MODERN PHYSICS, 1963, 35 (03) :436-&
[7]   IMPORTANCE OF ANGULAR CORRELATIONS BETWEEN ATOMIC ELECTRONS [J].
SCHWARTZ, C .
PHYSICAL REVIEW, 1962, 126 (03) :1015-&
[8]   MANY-ELECTRON THEORY OF ATOMS, MOLECULES AND THEIR INTERACTIONS [J].
SINANOGLU, O .
ADVANCES IN CHEMICAL PHYSICS, 1964, 6 :315-412
[9]   NUMERICAL SOLUTION OF 2-ELECTRON SCHRODINGER EQUATION [J].
WINTER, NW ;
LAFERRIERE, A ;
MCKOY, V .
PHYSICAL REVIEW A-GENERAL PHYSICS, 1970, 2 (01) :49-+
[10]   NUMERICAL SOLUTION OF S-LIMIT SCHRODINGER EQUATION [J].
WINTER, NW ;
DIESTLER, D ;
MCKOY, V .
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (05) :1879-&