Saddle point method and end-to-end distribution of polymer models

Introduction
Saddle point methods are widely used in estimation of integrals with form
I=exp(f(x))dx
where function f can be approximated by first 2 terms of its Taylor series around some x0, i.e.
f(x)f(x0)+f(x0)(xx0)+12f(x0)(xx0)2
The integral is thus approximated by its saddle point, where f(x0)=0 and f(x0)>0:
Iexp(f(x0)12f(x0)(xx0)2)dx=exp(f(x0))2πf(x0)

Examples
  • Stirling's formula:
With the knowledge of Γ function we know that
N!=0exp(x)xNdx
let f(x):=xNln(x), with large N, the negative part is negligible, solving f(x)=0, we have:
N!exp(N+Nln(N))2πN=2πN(Ne)N
  • Partition function:

Z=exp(βU(x))dx
with
U(x)U(x0)+12(xx0)TH[U](xx0)
where H represents hessian matrix.

End-to-end distribution function of random walk model of polymer chains
For an N-step random walk model, the exact end-to-end vector distribution is
P(Y)=1(2π)3dkexp(ikY)ϕ~N=0ksin(kY)(sin(kb)kb)Ndk
with ϕ(x)=14πb2δ(|x|b) is the distribution of one step vector (length=b) and ϕ~ is the characteristic function of ϕ; Y:=i=1Nxi is the end-to-end vector. Let s=kb and f(s):=iYNbslnsin(s)s then we have:
P=i4π2b2Y+sexp(isYb)(sin(s)s)Nds=i4π2b2Ysexp(Nf(s))ds
in this step, the integral is extened to (,+) due to the symmetry of sin/cos function: the first sin function is replaced with form of exp(ix) by Eular's equation: exp(ix)=cos(x)+isin(x).

Solving for f(s)=0, one could find that is satisfies
coth(is)1is=YNb
i.e. the Langevin function, is0=L1(YNb). We therefore have:
Ps04π2b2Y2πNf(s0)eNf(s0)=1(2πNb2)3/2L1(x)2x(1(L1(x)csc(L1(x)))2)1/2×(sinh(L1(x))L1(x)exp(xL1(x)))N
with x:=YNb.


2 comments:

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