ABINITIO CALCULATION OF THE POTENTIAL SURFACES AND THE ELECTRONIC-TRANSITION MOMENTS FOR THE VALENCE AND RYDBERG DOUBLET ELECTRONIC STATES OF HCO

被引：31

作者：

LORENZENSCHMIDT, H

PERIC, M

PEYERIMHOFF, SD

机构：

[1] UNIV BONN, INST PHYS & THEORET CHEM, W-5300 BONN 1, GERMANY

[2] UNIV BELGRADE, FAC SCI, INST PHYS CHEM, YU-11001 BELGRADE, YUGOSLAVIA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1993年 / 98卷 / 01期

关键词：

D O I：

10.1063/1.464647

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：

Results of large-scale configuration interaction calculations of the bending and C-O stretching potential curves and the corresponding electric transition moments for the low lying doublet electronic states of HCO are presented. Special attention is paid to the study of interaction between valence- and Rydberg-type species.

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页码：525 / 533

页数：9

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