High energy electron and X-ray scattering from atoms using Monte Carlo methods

被引：4

作者：

Alexander, SA

Coldwell, RL

Hoffmeyer, RE

Thakkar, AJ

机构：

[1] UNIV FLORIDA, DEPT PHYS, GAINESVILLE, FL 32611 USA

[2] UNIV NEW BRUNSWICK, DEPT CHEM, FREDERICTON, NB E3B 6E2, CANADA

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1996年 / 388卷

关键词：

Monte Carlo method; high energy electron; X-ray scattering;

D O I：

10.1016/S0166-1280(96)04684-2

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：

Using variational Monte Carlo and the explicitly-correlate wavefunctions of Schmidt and Moskowitz, we compute the form factor and the total cross sections for the scattering of fast electrons and X-rays by the neutral atoms He-Ne as well as selected anions and cations. Our results are in generally good agreement with the best previous calculations.

引用

页码：7 / 17

页数：11

共 36 条

[1]

ALEXANDER SA, 1989, INT J QUANTUM CHEM, P169

[2]

ALEXANDER SA, 1992, INT J QUANTUM CHEM, P213

[3] GUIDING-FUNCTION OPTIMIZATION IN BIASED-SELECTION MONTE-CARLO CALCULATIONS [J].