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 →E =- 72 .0 ,- 36 .0 ,0 .0 ,36 .0和 72 .0V/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。
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 H 2 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.
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
2003年第2期169-172,共4页
Journal of Atomic and Molecular Physics
