GENERALIZED OSCILLATOR-STRENGTH CALCULATIONS FOR SOME LOW-LYING EXCITED-STATES OF H-2 USING A HIGH-ACCURACY CONFIGURATION-INTERACTION WAVE-FUNCTION

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题名:	GENERALIZED OSCILLATOR-STRENGTH CALCULATIONS FOR SOME LOW-LYING EXCITED-STATES OF H-2 USING A HIGH-ACCURACY CONFIGURATION-INTERACTION WAVE-FUNCTION
作者:	LIU,JW;HAGSTROM,S
贡献者:	物理研究所
关键词:	ELECTRONIC-TRANSITION MOMENTS;BETHE THEORY;APPROXIMATION;SCATTERING;MOLECULES;HYDROGEN
日期:	1993
上传时间:	2010-07-08 14:11:59 (UTC+8)
出版者:	中央大學
摘要:	The full configuration-interaction (CI) method using elliptical basis functions has been used to calculate the wave function for a few of the lower 1,3SIGMA(g) and 1,3SIGMA(u) excited states. This computational method gives the best wave functions to date for the GK (3 1SIGMA(g)) and e (2 3SIGMA(u)) excited states at an internuclear distance R = 1.5 a.u., without using explicitly correlated basis functions, i.e., James-Coolidge or Hylleraas-type basis functions. Using these excited-state wave functions, accurate generalized oscillator strengths for excitation to a few of the lower excited states at R = 1.4 a.u. are calaculated and given for comparison with other calculations reported elsewhere. It is found that the effect of the ground-state electron correlation is important for excitation to the lowest excited states, but it becomes less significant for excitation to still higher excited states. It is concluded that the CI method and the computation technique presented here is the most practical and accurate one for studying the inelastic scattering by H-2 Of fast, charged particles or the electron-impact spectroscopy of H-2.
關聯:	PHYSICAL REVIEW A
显示于类别:	[物理研究所] 期刊論文

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