Study of molecular orbitals in momentum space

被引：0

作者：

Errea, LF

Macías, A

Méndez, L ^{[1
]}

Riera, A

Pons, B

Sevila, I

机构：

[1] Univ Autonoma Madrid, Dept Quim C9, E-28049 Madrid, Spain

[2] CSIC, Inst Estructura Mat, E-28006 Madrid, Spain

[3] Univ Bordeaux 1, CNRS, UMR 5107, CELIA, F-33405 Talence, France

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 2002年 / 86卷 / 01期

关键词：

momentum representation; atomic collisions;

D O I：

10.1002/qua.1622

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：

Molecular orbitals are presented in configuration and momentum representations. We propose to minimize large oscillations present in calculated momentum wavefunctions by cancelling position factor phases. We illustrate the distortion introduced by different electron translation factors and show continuum states and dynamical wavefunctions in momentum coordinates. (C) 2002 John Wiley & Sons, Inc.

引用

页码：46 / 58

页数：13

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