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10.6. Cluster Expansion for a Quantum Mechanical System

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1 10.6. Cluster Expansion for a Quantum Mechanical System
Define the probability density operator as

2 WN Mathematica

3 Since HN is invariant under particle exchange,
bosons fermions bosons & fermions A unitary transformation leaves the trace of an operator invariant. For WN , there are 2 sets of bases, { |   } & { | 1, ..., N  }. Thus, a unitary transformation on { |   } that leaves the set { | 1, ..., N  } untouched will leave the diagonal elements WN(1,...,N) invariant.

4 If can be divided into two groups A & B, i.e.,
such that 1. 2. Then r0 = effective range of u(r) Difficult to prove mathematically, but reasonable physically.

5 Wl ~ Ul For N = 2 : Let Cluster functions Ul are defined by :

6 Ul ~ Wl

7 bl Cluster integrals : Properties of bl : dimensionless.

8 Analogous to § 

9 Classically, bl is obtained by calculating a few fij integrals ( see §10.1) .
The quantum counterpart requires calculating all j-body interaction Uj with j l. Lee-Yang scheme : bl calculated by successive approximations. Ul calculated using Boltzmann statistics & unsymmetrized . Ul expanded in powers of a binary (2-body) kernel B. Better approach: Quantum field theory (see Chap 11) Reminder : Classical : Quantum ( § 7.1 & 8.1 ) :

10 10.7. Correlations & Scattering
Uncorrelated Correlated Short-Range Long-Range vapor liquid, paramagnets solid, ferro-magnets critical pt. power law liquid crystal

11 n1 Number densities nj : 1-body (local) number density
Translationally invariant system :

12 n2 2-body number density = probability of finding one particle within ( r, r+d r ) & another within ( r, r +d r ) Translationally invariant system : Ideal gas ( u = 0 ) : Pair correlation function g :

13 = probability of finding a particle
in spherical shell of radius r & thickness dr. for classical ideal gas ( Prob.10.7 ) Exact solution of the Percus-Yevick approximation for hard sphere gas with diameter D &

14 No particle can be found inside core 
This causes oscillation in g  = correlation length

15 P Classical fluid with potential energy Canonical ensemble :
( configurational partition function ) where

16 From § 3.7 : d = dimension Virial equation of state

17 For hard spheres : Prob.10.14 Also

18 10.7.A. Static Structure Factor
Incoming plane wave is scattered by particle at ri . Scattered wave is detected at R with Born approximation : 1(k) = amplitude of scattering wave f (k) = single particle scattering form factor Scattering of N particles :

19 Scattering intensity :
static structure factor ... = average over ri & rj Uniform fluid ( translationally invariant & isotropic ) : ( S ~ Fourier transform of g )

20 d = 1 d = 2 d = 3 fluctuation-compressibility relation inverse FT of S l-Ar n-scatt.

21 10.7.B. Scattering from Crystalline Solids
Simple crystal : identical atom at each (Bravais) lattice site R. Simple cubic lattice : Reciprocal lattice vectors G : Simple cubic lattice : Perfect Bravais lattice (no vibrations)

22 (no vibrations) Thermal excitation : Gaussian excitation : Motion uncorrelated for far-apart atoms : Debye-Wallace factor No long range order in 2-D lattice with short range interaction. power-law singularity instead of  in S. Solid / liquid transition is continuous (Kosterlitz-Thouless.)


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