Deconvolution of Electron Energy Loss Spectrum of Diatomic Molecules

CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 2009, Vol. 26 ›› Issue (2): 261-266.

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Deconvolution of Electron Energy Loss Spectrum of Diatomic Molecules

LIU Wenjing, ZHU Linfan, GE Min, XU Kezun

Hefei National Laboratory for Physical Sciences at Microscale, Department of Modern Physics, University of Science and Technology of China, Hefei 230026, China

Received:2008-07-07 Revised:2008-10-21 Online:2009-03-25 Published:2009-03-25

Abstract

Abstract: A deconvolution method for electron energy loss spectrum of diatomic molecules is proposed.Fitted energy positions are locked on accurate spectroscopic data.Calculated Franck-Condon factors are adjusted by a quadratic function.Precision requirement for Franck-Condon factors is reduced.Undermined parameters in deconvolution procedure are reduced dramatically.Precision of fitted results is improved. Optimized algorithm in fitting procedure avoids a lot of integral calculations.The program is used to deconvolve electron energy loss spectrum of H_2.Vibrationally resolved optical oscillator strengths are determined.The results agree well with previous experimental and theoretical studies.

Key words: electron energy loss spectrum, spectrum deconvolution, data fitting, hydrogen

CLC Number:

LIU Wenjing, ZHU Linfan, GE Min, XU Kezun. Deconvolution of Electron Energy Loss Spectrum of Diatomic Molecules[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 2009, 26(2): 261-266.

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Deconvolution of Electron Energy Loss Spectrum of Diatomic Molecules

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