Lecture20Ch161April13

Now we begin as always with canonical partition

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Unformatted text preview: we begin, As always with Canonical partition function: Q= 1 N !h3N e E( p1 .. pN ;q1 ..qN ) dp1dp2 ....dpN dq1dq2 ....dqN We note that energy function (a.k.a Hamiltonian) separates into kinetic energy and potential energy parts 1 N 2 2 E= pxn + p 2 + pzn + U x1 , y1....z N yn 2m n=1 ( ) ( ) And, as before we get a separation into (trivial) kinetic energy contribution and an important contribution from configurational part of CPF, we will focus on it in what follows: Q= 1 2 mkT 3N N !h h2 UN kT 3N 2 ZN Where ZN = e dr1dr2 ....drN Interacting particles Now we note also that in most cases total interaction energy can be considered as sum of pairwise interactions between particles: U N ( r1 ,r2 .....rN ) = N i< j u r...
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This note was uploaded on 05/04/2010 for the course CHEM 161 taught by Professor Shaklovich during the Spring '10 term at Harvard.

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