CONFIGURATION-INTERACTION STUDIES ON EXCITED-STATES OF LINEAR HCP+

被引：6

作者：

KARNA, SP

GREIN, F

机构：

[1] Department of Chemistry, University of New Brunswick, Fredericton

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 169卷 / 1-2期

关键词：

D O I：

10.1016/0009-2614(90)85181-B

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：

Configuration interaction studies using large basis sets were performed on the X2Π ground state and nine excited states of linear HCP+. Both the CP and the CH distances were varied while the other distance was kept constant. Spectroscopic constants Te, Re(CP), Re(CH), ωe(CP) and ωe(CH) were derived, as well as ionization potentials of HCP. For the known states X2Π and A2Σ+, agreement with experimental values is good. © 1990.

引用

页码：161 / 164

页数：4

共 25 条

[1] PHOSPHA-ALKENES AND PHOSPHA-ALKYNES, GENESIS AND PROPERTIES OF THE (P-P)PI-MULTIPLE BOND [J].