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Reinforcement Learning Configuration Interaction

Joshua J. Goings, Hang Hu, Chao Yang, Xiaosong Li

Published Mar 31, 2021• 1 citation
Publisher

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.
DOI
10.26434/chemrxiv.14342234

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