Dear all, How can i obtain a vibriational spectra (e.g. water on Pd) from ab initio molecular dynamics simulations on the basis of the velocity-velocity correlation functions. Thank you! -- Yours sincerely,
Clark Lee State Key Lab of Corrosion and Protection (SKLCP) Institute of Metal Research (IMR) Chinese Academy of Sciences (CAS), China Phone: 024-23925323 Email: jibiaoli at gmail.com -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20071226/4d6dc382/attachment.htm
