full configuration interaction
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scholarly journals Accurate full configuration interaction correlation energy estimates for five- and six-membered rings

2021 ◽  
Vol 155 (13) ◽  
pp. 134104
Author(s):  
Yann Damour ◽  
Mickaël Véril ◽  
Fábris Kossoski ◽  
Michel Caffarel ◽  
Denis Jacquemin ◽  
...  
Keyword(s):  
Configuration Interaction ◽  
Correlation Energy ◽  
Energy Estimates ◽  
Full Configuration Interaction

scholarly journals Full configuration interaction simulations of exchange-coupled donors in silicon using multi-valley effective mass theory

2021 ◽  
Author(s):  
Benjamin Joecker ◽  
Andrew Baczewski ◽  
John King Gamble ◽  
Jarryd Pla ◽  
Andre Saraiva ◽  
...  
Keyword(s):  
Effective Mass ◽  
Configuration Interaction ◽  
Full Configuration Interaction

scholarly journals A full configuration interaction quantum Monte Carlo study of ScO, TiO, and VO molecules

2021 ◽  
Vol 154 (16) ◽  
pp. 164302
Author(s):  
Tonghuan Jiang ◽  
Yilin Chen ◽  
Nikolay A. Bogdanov ◽  
Enge Wang ◽  
Ali Alavi ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Configuration Interaction ◽  
Quantum Monte Carlo ◽  
Monte Carlo Study ◽  
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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