scholarly journals Cluster decomposition of full configuration interaction wave functions: A tool for chemical interpretation of systems with strong correlation

2017 ◽  
Vol 147 (15) ◽  
pp. 154105 ◽  
Author(s):  
Susi Lehtola ◽  
Norm M. Tubman ◽  
K. Birgitta Whaley ◽  
Martin Head-Gordon
Keyword(s):  
Configuration Interaction ◽  
Strong Correlation ◽  
Wave Functions ◽  
Full Configuration Interaction

scholarly journals Reinforcement Learning Configuration Interaction

2021 ◽  
Author(s):  
Joshua Goings ◽  
Hang Hu ◽  
Chao Yang ◽  
Xiaosong Li
Keyword(s):  
Reinforcement Learning ◽  
Configuration Interaction ◽  
Learning Algorithm ◽  
Wave Functions ◽  
Full Configuration Interaction ◽  
Interaction Problem ◽  
Reinforcement Learning Algorithm

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.

scholarly journals Reinforcement Learning Configuration Interaction

2021 ◽  
Author(s):  
Joshua Goings ◽  
Hang Hu ◽  
Chao Yang ◽  
Xiaosong Li
Keyword(s):  
Reinforcement Learning ◽  
Configuration Interaction ◽  
Learning Algorithm ◽  
Wave Functions ◽  
Full Configuration Interaction ◽  
Interaction Problem ◽  
Reinforcement Learning Algorithm

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.

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