Transition moments among 3Σ and 3Π states of the H2 molecule

被引：66

作者：

Staszewska, G ^{[1
]}

Wolniewicz, L ^{[1
]}

机构：

[1] Nicholas Copernicus Univ, Inst Phys, PL-87100 Torun, Poland

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 1999年 / 198卷 / 02期

关键词：

D O I：

10.1006/jmsp.1999.7975

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：

Explicitly correlated wavefunctions are used to compute adiabatic potential energy curves and electronic dipole transition moments for a number of triplet Sigma and Pi states of the hydrogen molecule in a wide range of internuclear distances. The potential energy curves are more accurate and complete than any earlier results. The character of the wavefunctions at large internuclear distances is investigated and the variational energies smoothly approach asymptotic interaction energies predicted by perturbation theory. (C) 1999 Academic Press.

引用

页码：416 / 420

页数：5

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