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Abstract
A reinforcement learning algorithm is developed for the selected configuration interaction problem. We explore how reinforcement learning can obtain compact wave functions at near full configuration interaction accuracy.
Reinforcement Learning Configuration Interaction
07 July 2021, Version 3
Working Paper
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This content is a preprint and has not undergone peer review at the time of posting.
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Funding
Basic Energy Sciences
DE-SC0021100
From Accurate Variational Relativistic Electronic Structure Theory to Practical Applications in Heavy-Element Chemistry
Directorate for Computer & Information Science & Engineering
1663636
SI2-SSI: Sustainable Open-Source Quantum Dynamics and Spectroscopy Software
Author’s competing interest statement
The author(s) have declared they have no conflict of interest with regard
to this content
Ethics
The author(s) have declared ethics committee/IRB approval is not relevant
to this content