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20 august 2019 05:00:07

 
[ASAP] Singlet-Triplet Energy Gaps of Organic Biradicals and Polyacenes with Auxiliary-Field Quantum Monte Carlo (Journal of Chemical Theory and Computation)
 


Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b00534


 
188 viewsCategory: Chemistry
 
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[ASAP] Many-Body Expanded Full Configuration Interaction. II. Strongly Correlated Regime (Journal of Chemical Theory and Computation)
 
 
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