Calculation of vibrational excitation cross-sections in resonant electron-molecule scattering using the time-dependent wave packet (TDWP) approach with application to the 2𝛱 CO- shape resonance

Journal of Chemical Sciences

Manabendra Sarma¹  Ankit Jain¹  Manoj K Mishra¹  Raman Kumar Singh¹  Satrajit Adhikari1¹ 

[1] Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400 076$$

关键词: Electron scattering;    shape resonance;    vibrational excitation;    time dependent wave packet (TDWP);    local complex potential.;   

DOI  :  

来源: Indian Academy of Sciences

【 摘 要 】

Results from application of a new implementation of the time-dependent wave packet (TDWP) approach to the calculation of vibrational excitation cross-sections in resonant e-CO scattering are presented to examine its applicability in the treatment of e-molecule resonances. The results show that the SCF level local complex potential (LCP) in conjunction with the TDWP approach can reproduce experimental features quite satisfactorily.

【 授权许可】

Unknown