Abstract
The ring-polymer instanton method is used to calculate tunneling pathways and hence tunneling splitting patterns of the water dimer, trimer, pentamer, and hexamer prism. We discuss recent developments to improve the efficiency of this method and present results utilizing the MB-pol potential-energy surface. We explain how the symmetry analysis can be performed in an automatic manner in order to obtain the splitting pattern and to assign the levels.
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.
