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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
31 March 2021, Version 1
Working Paper
Authors
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
Author’s competing interest statement
No conflict of interest