Analytic expression of the second derivatives of electronic energy for full configuration interaction wave functions

1989 ◽  
Vol 76 (2) ◽  
pp. 113-124 ◽  
Author(s):  
Yoshihiro Osamura
Keyword(s):  
Configuration Interaction ◽  
Electronic Energy ◽  
Wave Functions ◽  
Full Configuration Interaction ◽  
Second Derivatives ◽  
Analytic Expression ◽  
Derivatives Of

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.

Sign in / Sign up

Export Citation Format

Share Document