University of Cambridge > Talks.cam > TCM Journal Club > Computational Consequences of Neglected First Order Van der Waals Forces

Computational Consequences of Neglected First Order Van der Waals Forces

Add to your list(s) Download to your calendar using vCal

If you have a question about this talk, please contact James Kermode.

Authors: Kevin Cahill and V. Adrian Parsegian arXiv:q-bio/0312005

We have computed the widely neglected first-order interaction between neutral atoms. At interatomic separations typical of condensed media, it is nearly equal to the 1/r6 second-order London energy inferred from interactions in gasses. Our results, without the exchange forces that lead to covalent bonding, suggest that the quality of non-bonding attraction between neutral atoms of molecules in condensed media differs from the 1/r6 form usually ascribed to it. If we add first-order and all second-order terms, we obtain energies nearly five times the 1/r6 London energies which dominate only at the atomic separations found in gasses. For computation, we propose a practical, accurate form of energy to replace the qualitatively inaccurate Lennard-Jones and harmonic forms casually assumed to hold at the interatomic separations found in condensed media.

This talk is part of the TCM Journal Club series.

Tell a friend about this talk:

This talk is included in these lists:

Note that ex-directory lists are not shown.

 

© 2006-2024 Talks.cam, University of Cambridge. Contact Us | Help and Documentation | Privacy and Publicity