EFFICIENT WAY TO COMPUTE GAS-SURFACE POTENTIAL WITH APPLICATION TO DOUBLE RAINBOW SCATTERING

被引：12

作者：

DION, DR

BARKER, JA

MERRILL, RP

机构：

[1] IBM CORP,RES LAB,SAN JOSE,CA 95193

[2] CORNELL UNIV,DEPT CHEM ENGN,ITHACA,NY 14853

来源：

CHEMICAL PHYSICS LETTERS | 1978年 / 57卷 / 02期

关键词：

D O I：

10.1016/0009-2614(78)80456-4

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：

Assuming that the total atom-crystal atom potential is a pair-wise sum of gas atom-crystal atom Lennard-Jones 12-6 potentials, we described a fast, efficient algorithm for numerically finding the total potential of a gas atom near a crystal surface. The algorithm consits of explicitly summing over part of the solid and then performing integrations over the rest. The algorithm is used in computing Ne scattering distributions from a static Ag (111) surface and the resulting double rainbow" scattering distributin is described and discussed. © 1978."

引用

页码：298 / 303

页数：6

共 12 条

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[10]

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