原子与分子物理学报, 2003, 20 (2): 169, 网络出版: 2006-05-19
H2的外场效应
Hydrogen molecule under electromagnetic and electric field
摘要
本文计算H2从基态到激发态的跃迁矩阵元(μ)0n,振子强度f0n,自发辐射系数An0和吸收系数B0n(n=1-6),还计算了在电场AE→U2=-72.0,-36.0,0.0,36.0和72.0 V/M下H2的行为.对进一步研究高分子材料的外场效应有参考价值.
Abstract
The present work devotes to calculate the transition matrix elements μ on , oscillator strengths f, Einstein A no and B on coefficients of H 2 from ground state X 1∑ + g to six of different excited states by CIS method and consider the effect of H2 under the electric field 0,±36.0,±72.0 V/M by DFT b3p86/6-311G . It is rather instructive for the further researches for the interaction of radiation with polymeric compounds.
朱正和, 付依备, 高涛, 陈银亮, 陈晓军. H2的外场效应[J]. 原子与分子物理学报, 2003, 20(2): 169. 朱正和, 付依备, 高涛, 陈银亮, 陈晓军. Hydrogen molecule under electromagnetic and electric field[J]. Journal of Atomic and Molecular Physics, 2003, 20(2): 169.
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