AB-INITIO POTENTIAL-ENERGY CURVES FOR THE CO+ION AND A STUDY OF THE PHOTOELECTRON-SPECTRA OF CO

被引：32

作者：

HONJOU, N

SASAKI, F

机构：

[1] Department of Chemistry, Hokkaido University, Sapporo

来源：

MOLECULAR PHYSICS | 1979年 / 37卷 / 05期

关键词：

D O I：

10.1080/00268977900101141

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：

The potential energy curves for the low-lying electronic states of CO+ are calculated by using the ab initio full valence configuration interaction method with minimal STOs. Calculated spectroscopic parameters are given for twenty five bound states, and are compared with the experimental values for four observed bound states. The band systems, observed in the 22 eV and 27 eV region of He II photoelectron spectra of CO, are analysed by using calculated potential energy curves and spectral intensities. New assignment for the fourth band system at 22 eV 23 eV is proposed. © 1979 Taylor & Francis Group, LLC.

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页码：1593 / 1604

页数：12

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