MOMENTUM-SPACE PROPERTIES OF THE NEUTRAL ATOMS FROM H THROUGH U

被引:23
|
作者
WESTGATE, WM
SAGAR, RP
FARAZDEL, A
SMITH, VH
SIMAS, AM
THAKKAR, AJ
机构
[1] UNIV FED PERNAMBUCO, DEPT QUIM FUNDAMENTAL, BR-51021 RECIFE, BRAZIL
[2] UNIV NEW BRUNSWICK, DEPT CHEM, FREDERICTON E3B 6E2, NB, CANADA
基金
加拿大自然科学与工程研究理事会;
关键词
D O I
10.1016/0092-640X(91)90007-Q
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
All the finite moments of the electron momentum densities of the ground states of the neutral atoms from hydrogen through uranium are calculated from nonrelativistic self-consistent field wave functions. The expectation values of the relativistic kinetic energy operator and the Breit-Pauli correction to the nonrelativistic kinetic energy are also computed. The first three coefficients in each of the MacLaurin and large-momentum asymptotic expansions of the spherically averaged momentum density are tabulated. The values and locations of the extrema of the spherically averaged and the radial momentum densities are listed along with the characteristic momentum. © 1991.
引用
收藏
页码:213 / 229
页数:17
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