Correlated electron-pair properties of the Be atom in position and momentum spaces

被引：12

作者：

Koga, T ^{[1
]}

机构：

[1] Muroran Inst Technol, Dept Appl Chem, Muroran, Hokkaido 0508585, Japan

来源：

JOURNAL OF CHEMICAL PHYSICS | 2002年 / 116卷 / 15期

关键词：

D O I：

10.1063/1.1462614

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：

Based on multiconfiguration Hartree-Fock calculations, correlated electron-pair intracule (relative motion) and extracule (center-of-mass motion) properties are reported for the Be atom in position and momentum spaces. Particularly in the latter space, the present results are more accurate and consistent than those in the literature. (C) 2002 American Institute of Physics.

引用

页码：6614 / 6617

页数：4

共 50 条

[1] Correlated electron-pair properties of the He atom in position and momentum spaces
Koga, T
[J]. CHEMICAL PHYSICS LETTERS, 2001, 350 (1-2) : 135 - 140
[2] Correlated electron-pair properties of the Li atom in momentum space
Toshikatsu Koga
[J]. Theoretical Chemistry Accounts, 2002, 107 : 246 - 249
[3] Correlated electron-pair properties of the Li atom in momentum space
Koga, T
[J]. THEORETICAL CHEMISTRY ACCOUNTS, 2002, 107 (04) : 246 - 249
[4] Physical significance of second electron-pair moments in position and momentum spaces
Koga, T
Matsuyama, H
[J]. JOURNAL OF CHEMICAL PHYSICS, 2001, 115 (09): : 3984 - 3991
[5] Electron-pair densities in position and momentum spaces for multi-determinant wavefunctions
Koga, T
Matsuyama, H
[J]. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1998, 31 (17) : 3765 - 3777
[6] Electron-pair relative-motion densities of atoms in position and momentum spaces
Matsuyama, H
Koga, T
Romera, E
Dehesa, JS
[J]. PHYSICAL REVIEW A, 1998, 57 (03): : 1759 - 1766
[7] Accurate electron-pair, momentum-space properties for the helium atom
Thakkar, AJ
[J]. CHEMICAL PHYSICS LETTERS, 2003, 381 (1-2) : 80 - 85
[8] Electron-pair center-of-mass-motion densities of atoms in position and momentum spaces
Koga, T
Matsuyama, H
Romera, E
Dehesa, JS
[J]. PHYSICAL REVIEW A, 1998, 57 (06): : 4212 - 4218
[9] Atomic electron-pair distances and subshell radii in position and momentum space
Toshikatsu Koga
Hisashi Matsuyama
[J]. Theoretical Chemistry Accounts, 1999, 102 : 39 - 48
[10] Atomic electron-pair distances and subshell radii in position and momentum space
Koga, T
Matsuyama, H
[J]. THEORETICAL CHEMISTRY ACCOUNTS, 1999, 102 (1-6) : 39 - 48

← 1 2 3 4 5 →