ROTATION-VIBRATIONAL STATES OF H2D+ USING HYPERSPHERICAL COORDINATES AND HARMONICS

被引：19

作者：

ALIJAH, A ^{[1
]}

HINZE, J ^{[1
]}

WOLNIEWICZ, L ^{[1
]}

机构：

[1] NICHOLAS COPERNICUS UNIV, INST PHYS, PL-87100 TORUN, POLAND

来源：

MOLECULAR PHYSICS | 1995年 / 85卷 / 06期

关键词：

D O I：

10.1080/00268979500101701

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：

Using the highly accurate Rohse-Kutzelnigg-Jaquet-Klopper potential surface the band origins up to 9000 cm(-1) have been calculated for H2D+ Ro-vibrational term values have been calculated up to J = 12 for the vibrational ground state, up to J = 8 for the singly excited states and up to J = 4 for the doubly excited states. The relation between exact hyperspherical quantum numbers and the usual spectroscopic quantum numbers is discussed and the results obtained are compared with the available experimentally observed transition energies. As many of the calculated terms have not been observed yet, the data presented should aid experimental assignments.

引用

页码：1105 / 1123

页数：19

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