INTERELECTRONIC MOMENTS OF ATOMIC SYSTEMS

被引：4

作者：

DEHESA, JS ^{[1
]}

ANGULO, JC ^{[1
]}

KOGA, T ^{[1
]}

KASAI, Y ^{[1
]}

机构：

[1] MURORAN INST TECHNOL, DEPT APPL CHEM, MURORAN, HOKKAIDO 050, JAPAN

来源：

PHYSICAL REVIEW A | 1993年 / 48卷 / 01期

关键词：

D O I：

10.1103/PhysRevA.48.832

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

The electron-pair density I(u) of an atomic system, u being the interelectronic vector r12, may be completely characterized by means of the moments (u9), q>-3, defined as [u(q)]=integral u(q)I(u)u=4pi integral-infinity/0 u(q+2)h(u)du, where h(u) is the spherical average of I(u). These interelectronic quantities are basic elements in the study of the electron-electron correlation problem. Here it is analytically shown how a moment of a given order q is bounded from below in terms of moments with orders higher than or lower than q. To do that, the so-called extended-correlation cusp condition [i.e., h (u) - h'(u) greater-than-or-equal-to 0 for u greater-than-or-equal-to 0], recently found for various atomic systems in a variational Hylleraas-type framework, is used. The lower bounds turn out to be often very accurate.

引用

页码：832 / 835

页数：4

共 10 条

[1] ELECTRON CORRELATION IN GROUND STATE OF HELIUM
COULSON, CA
NEILSON, AH
[J]. PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1961, 78 (504): : 831 - &
[2] STUDY OF SOME INTERELECTRONIC PROPERTIES IN HELIUM-LIKE ATOMS
DEHESA, JS
ANGULO, JC
KOGA, T
MATSUI, K
[J]. ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 1992, 25 (01): : 9 - 16
[3] BOUNDS TO THE CENTRAL ELECTRON-PAIR DENSITY WITH APPLICATIONS TO 2-ELECTRON ATOMS
DEHESA, JS
ANGULO, JC
KOGA, T
MATSUI, K
[J]. PHYSICAL REVIEW A, 1993, 47 (06): : 5202 - 5205
[4] THE ELECTRON-PAIR DENSITY OF ATOMIC SYSTEMS - RIGOROUS BOUNDS AND APPLICATION TO HELIUM
DEHESA, JS
ANGULO, JC
KOGA, T
[J]. ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 1992, 25 (01): : 3 - 8
[5] KOGA T, IN PRESS PHYS REV A
[6] KOGA T, IN PRESS Z PHYS D
[7] KOGA T, 1992, UNPUB
[8] Shohat J.A., 1943, AM MATH SOC MATH SUR, VI
[9] Thakkar A. J., 1987, DENSITY MATRICES DEN, P553
[10] ELECTRON-ELECTRON CUSP CONDITION FOR SPHERICAL AVERAGE OF INTRACULE MATRIX
THAKKAR, AJ
SMITH, VH
[J]. CHEMICAL PHYSICS LETTERS, 1976, 42 (03) : 476 - 481

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