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SUMMARY:Computational Consequences of Neglected First Order Van der Waals 
 Forces - Robert Lee\, TCM
DTSTART:20080222T160000Z
DTEND:20080222T163000Z
UID:TALK10636@talks.cam.ac.uk
CONTACT:James Kermode
DESCRIPTION:Authors: Kevin Cahill and V. Adrian Parsegian\n"arXiv:q-bio/03
 12005":http://arxiv.org/abs/q-bio/0312005\n\nWe have computed the widely n
 eglected first-order interaction between neutral atoms. At interatomic sep
 arations typical of condensed media\, it is nearly equal to the 1/r^6^ sec
 ond-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/r^6^ form usually ascribed to it. If
  we add first-order and all second-order terms\, we obtain energies nearly
  five times the 1/r^6^ London energies which dominate only at the atomic s
 eparations found in gasses. For computation\, we propose a practical\, acc
 urate form of energy to replace the qualitatively inaccurate Lennard-Jones
  and harmonic forms casually assumed to hold at the interatomic separation
 s found in condensed media.
LOCATION:TCM Seminar Room\, Cavendish Laboratory
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