Tuesday, June 9, 2015

schroedinger equation - Correct application of Laplacian Operator


Not a physicist, and I'm having trouble understanding how to apply the Laplacian-like operator described in this paper and the original. We let:


ˆf(x)=f(x)+H(x,y)ψ(y)dyπ(x)


Where H is a Hermitian operator (real symmetric, actually), π(x) is an un-normalized density function (measurable positive), ψ(x) is arbitrary integrable function, and f(x) is an arbitrary measurable function. H is chosen to ensure that the following condition holds:



H(x,y)π(x)dx=0       (1)


This is done so that ˆf(x) and f(x) have the same expectation under π(x): f(x)π(x)dx=ˆf(x)π(x)dx.


The paper goes on to define a Schrödinger-like H for {xRd}:


H=12di=12x2i+V(x)


Where V(x) is constructed to meet (1):


V(X)=12π(x)di=12π(x)x2i


Which allows us to verify (1) as follows:


Hπ=H(x,y)π(y)dy=12di=12π(y)y2i+π(y)2π(y)di=12π(y)y2idy=0


I got the right result above, but I'm not sure I applied the H operator correctly...


The paper considers the following form for ψ(x):



ψ(x)=P(x)π(x)


The authors then derive the following:


ˆf(x)=f(x)12ΔP(x)+P(x)(12lnπ(x))


Where denotes the gradient (x1,...,xd) and Δ denotes the Laplacian operator di=12x2i. I'm not able to re-derive this equation. Again, I'm not sure I'm applying the H operator correctly, because it looks like I should end up with something in terms of x. My obviously incorrect attempt follows:


H(x,y)ψ(y)dy=12di=12ψ(y)y2i+ψ(y)2π(y)di=12π(y)y2idy=12di=12P(y)π(y)y2i+P(y)2di=12π(y)y2idy=π(y)2ΔP(y)12π(y)P(y)π(y)dy


Edit:


I was able to reproduce the result by applying the operator by just swapping x and y and not explicitly solving the integral. here is what I got:


Hψ=12di=12ψ(x)x2i+ψ(x)2π(x)di=12π(x)y2i=π(x)2ΔP(x)12π(x)P(x)π(y) Dividing by π(x) yields: =12ΔP(x)12P(x)lnπ(x) Which is the same. Does this mean that the definition of H is describing the solution to the integral? What is H(x,y)?



Answer



In the original paper it is said that equation (10): H=12di=12x2i+V(x)(10) "is written using the standard quantum-mechanical notation for a local Hamiltonian in the x-space realization".



This means that actually H from (10) is the operator and H(x,y) from your eq. (1) is the matrix of this operator in the linear space of integrable functions with the following basis: fy(ξ)=δ(ξy).


So one can write: Hψ(x)=H(x,y)ψ(y)dy.


The elements of the matrix can be calculated as follows: H(x,y)=Hx,y=(fx,Hfy)=fx(ξ)H(ξ)fy(ξ)dξ= fx(ξ)(12di=12ξ2i+V(ξ))fy(ξ)dξ= δ(ξx)(12di=1δi(ξy)+V(ξ)δ(ξy))dξ. So H(x,y)=12di=1δi(xy)+V(x)δ(xy), where δi(r)=2r2iδ(r).


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