THE 2P-SIGMA(U)-1S-SIGMA(G) ELECTRONIC-SPECTRUM OF D-2(+)

被引:35
作者
MOSS, RE
机构
来源
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS | 1993年 / 89卷 / 21期
关键词
D O I
10.1039/ft9938903851
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
Non-adiabatic dissociation energies are calculated for the N less-than-or-equal-to 5 vibration-rotation levels of the ground electronic state of D2+, together with the seven vibration-rotation levels of the first excited electronic state, using a transformed Hamiltonian and an artificial-channels scattering method. Coupling of rotational and electronic angular momenta is included. Relativistic and radiative corrections are made to give dissociation energies, that of the 0,0 level of the ground electronic state agreeing with experiment. In particular, calculated electronic transition energies are in excellent agreement with the available experimental values. The complete calculated 2psigma(u)-1ssigma(g) vibronic band system of D2+ is reported.
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页码:3851 / 3855
页数:5
相关论文
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