Abstract
A frequency analysis is made of a molecular dynamical (MD) simulation of crystalline CS2. At 20 K the peak MD frequencies agree with those calculated using lattice dynamics (LD). However, they are not as dominant as might be expected. At 150 K the peak frequencies are generally not the LD ones. Experience with the Fermi–Pasta–Ulam linear chain problem suggests the reason may be obscuring of fundamental by combination frequencies in highly anharmonic situations.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
