SPECTROSCOPIC PROPERTIES OF PTN

被引：9

作者：

DAI, DG

BALASUBRAMANIAN, K

机构：

[1] Arizona State Univ., Dept Chem, Tempe

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 1995年 / 172卷 / 02期

关键词：

D O I：

10.1006/jmsp.1995.1189

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

Spectroscopic properties of 21 electronic states of PtN are computed using complete active space multiconfiguration self-consistent field computations followed by first-order configuration interaction computations. Potential energy curves of several electronic states of PtN are reported. The multireference singles + doubles configuration interaction and the relativistic configuration interaction techniques are used to compare the properties of the low-lying states. Results of our computations agree not only with the known spectra of PtN but also predict several new electronic states which are yet to be observed. (C) 1995 Academic Press, Inc.

引用

页码：421 / 429

页数：9

共 23 条

[1] HYPERFINE-STRUCTURE IN HIGH-SPIN MULTIPLICITY ELECTRONIC STATES - ANALYSIS OF THE B(4)PI-X(4)SIGMA(-) TRANSITION OF GASEOUS NBO [J].