A Basis-Set-Free Variational Quantum Eigensolver
I gave a quick demonstration of our basis-set-free approach for the variational quantum eigensolver at IEEE Quantum Week 2020 (Workshop on Software for Quantum Applications, Algorithms, and Workflows) and within VCTC2020.
VCTC 3 minute overview
Relevant tequila tutorials:
- basic usage: General how-to for tequila
- basis-set-free H2 toy code: Minimal qubit Hamiltonian of H2 in basis-set-free representation. If you don’t have time and just want one molecule.
- SPA ansatz: Examples for the SPA ansatz and a collection of precomputed basis-set-free representations of molecules (if you don’t want to compile madness).
- madness-interface: If you want to compute your own molecular orbitals from scratch.