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Theoretical Study Of The Femtosecond-resolved Photoelectron Spectrum

Posted on:2008-09-11Degree:MasterType:Thesis
Country:ChinaCandidate:L WangFull Text:PDF
GTID:2120360218955597Subject:Theoretical Physics
Abstract/Summary:PDF Full Text Request
Time-dependent-wave-packet method is an important way of studying the photoelectronspectra of molecules. In this thesis, the effect of laser fields on the Na2 interaction potentialsis obtained by simulating the time-resolved photoelectron spectrum (TRPES) withtime-dependent-wave-packet method. It is shown that photoelectron spectra at differentdelay-time reflect the population in different electronic states. We could not only inspect theperiodicity of vibrational motion in neutral states, but also map the vibrational wave-packetpropagation in corresponding internuclear coordinate.For further research, we make use of an improved potential for the ground state ((?)2∑u+)[Journal of chemical physics 107, (1997) 7613] and the first quantitative potential for theexcited state (A2∏g,1/2) [Journal of chemical physics 110, (1999) 3748] of I2- withfemtosecond photoelectron spectroscopy (FPES) which is provided by Martin T. Zanni et al.By using these potentials, we simulate the time-resolved photoelectron spectrum (TRPES)with time-dependent-wave-packet method. The calculated results show that our theoreticalresults accord well with the experimental ones [Journal of chemical physics 110, (1999) 3748].Two conclusions can be derived from the calculation: first, with more accurate potential curvethat Zanni et al. have reported we could simulate the photoelectron spectrum of I2- anionand get better results of dissociation; secondly, the populations of I*(2P1/2) and I(2P3/2)states have the same trend when the delay-time increases from 20fs to 320fs.
Keywords/Search Tags:time-dependent-wave-packet, time-resolved photoelectron spectrum, femtosecond, delay-time
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