EQUILIBRIUM GEOMETRIES AND SPECTROSCOPIC PROPERTIES OF SEVERAL LOW-LYING ELECTRONIC STATES OF PH2+

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作者：
HONG, XJ
WEN, ZY
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来源：
ACTA CHIMICA SINICA | 1995年 / 53卷 / 08期
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中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
In this paper, equilibrium geometries of the ground and several low excited electronic states of PH2+ are obtained by the MRSD CI level calculation. Based on MRSD CI energies and 2 wavefunctions, Triplet-Singlet spliting, oscillation strength and radiative lifetime of some transitions are determined. It displays that the equilibrium geometries obtained are more accurate and reliable than earlier reports, and the Triplet-Singlet spliting is consistent with the experimental quantities.
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页码：745 / 750
页数：6
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