Variational Method of the Quantum Simple Harmonic Oscillator using PyTorch

A fun method (and useful!) for solving the ground state of the Schrodinger equation is to minimize the energy integral dx \psi^\dagger H \psi while keeping the total probability 1. Pytorch is a big ole optimization library, so let’s give it a go.

I’ve tried two versions, using a stock neural network with relus and making it a bit easier by giving a gaussian with variable width and shift.

We can mimic the probability constraint by dividing by to total normalization \int dx \psi^\dagger \psi. A Lagrange multiplier or penalty method may allows us to access higher wavefunctions.

SGD seems to do a better job getting a rounder gaussian, while Adam is less finicky but makes a harsh triangular wavefunction.

The ground state solution of -\frac{d^2\psi}{dx^2} + x^2\psi=E\psi is e^{-x^2/2}, with an energy of 1/2 (unless I botched up my head math). We may not get it, because we’re not sampling a very good total domain. Whatever, for further investigation.

Very intriguing is that pytorch has a determinant in it, I believe. That opens up the possibility of doing a Hartree-Fock style variational solution.

Here is my garbage

Edit: Hmm I didn’t compensate for the fact I was using randn sampling. That was a goof. I started using unifrom sampling, which doesn’t need compensation



Annihilation Creation with Wick Contraction in Python

Trying an alternative approach to dealing with the algebra of qft computationally based on wick contraction. We can easily find an algorithm that finds all possible pairs. Then we just reduce it all accordingly. Some problems: The combinatorics are going to freak out pretty fast.

I think my use of functional stuff like maps and lambdas is intensely unclarifying the code.


Attaching the Jordan Wigner String in Numpy

Just a fast (fast to write, not fast to run) little jordan wigner string code

What fun!