CALCULATIONS FOR VIBRATION-ROTATION LEVELS OF HD+, IN PARTICULAR FOR HIGH N

被引:76
作者
MOSS, RE
机构
[1] Chemistry Department, The University, Southampton
关键词
D O I
10.1080/00268979300100291
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
Nonadiabatic dissociation energies are calculated for 619 vibration rotation levels of the ground electronic state of HD+ using a transformed Hamiltonian and an artificial-channels scattering method. In particular, coupling of rotational and electronic angular momenta is accounted for, so that levels with high N may be studied. Relativistic and radiative corrections are added to give dissociation energies, from which calculated transition energies may be compared with the experimentally available values; the agreement is good, in most cases to within experimental error (0.001 cm-1).
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页码:371 / 405
页数:35
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