Abstract
The structure of a uniform simple liquid is related to that of a reference fluid with purely repulsive intermolecular forces in a self-consistently determined external reference field (ERF) φR. The ERF can be separated into a harshly repulsive part φR0 generated by the repulsive core of a reference particle fixed at the origin and a more slowly varying part φR1 arising from a mean field treatment of the attractive forces. We use a generalized linear response method to calculate the reference fluid structure, first determining the response to the smoother part φR1 of the ERF alone, followed by the response to the harshly repulsive part. Both steps can be carried out very accurately, as confirmed by computer simulations, and good agreement with the structure of the full Lennard-Jones fluid is found.
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.
