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)dy√π(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 {x∈Rd}:
H=−12d∑i=1∂2∂x2i+V(x)
Where V(x) is constructed to meet (1):
V(X)=12√π(x)d∑i=1∂2√π(x)∂x2i
Which allows us to verify (1) as follows:
H√π=∫H(x,y)√π(y)dy=∫−12d∑i=1∂2√π(y)∂y2i+√π(y)2√π(y)d∑i=1∂2√π(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)⋅(−12∇lnπ(x))
Where ∇ denotes the gradient (∂∂x1,...,∂∂xd) and Δ denotes the Laplacian operator ∑di=1∂2∂x2i. 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=∫−12d∑i=1∂2ψ(y)∂y2i+ψ(y)2√π(y)d∑i=1∂2√π(y)∂y2idy=∫−12d∑i=1∂2P(y)√π(y)∂y2i+P(y)2d∑i=1∂2√π(y)∂y2idy=∫−√π(y)2ΔP(y)−12√π(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=−12d∑i=1∂2ψ(x)∂x2i+ψ(x)2√π(x)d∑i=1∂2√π(x)∂y2i=−√π(x)2ΔP(x)−12√π(x)∇P(x)⋅∇π(y) Dividing by √π(x) yields: =−12ΔP(x)−12∇P(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=−12d∑i=1∂2∂x2i+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(ξ−y).
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)=∫f∗x(ξ)H(ξ)fy(ξ)dξ= ∫f∗x(ξ)(−12d∑i=1∂2∂ξ2i+V(ξ))fy(ξ)dξ= ∫δ(ξ−x)(−12d∑i=1δ″i(ξ−y)+V(ξ)δ(ξ−y))dξ. So H(x,y)=−12d∑i=1δ″i(x−y)+V(x)δ(x−y), where δ″i(r)=∂2∂r2iδ(r).
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