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Classical and Quantum Trial Wave Functions in Auxiliary-Field Quantum Monte Carlo Applied to Oxygen Allotropes and a CuBr2 Model System.

Maximilian Amsler,Peter Deglmann,Matthias Degroote,Michael P. Kaicher,Matthew Kiser, Michael Kuehn,Chandan Kumar,Andreas Maier,Georgy Samsonidze,Anna Schroeder,Michael Streif,Davide Vodola,Christopher Wever

JOURNAL OF CHEMICAL PHYSICS（2023）

Cited 4|Views32
Key words
Quantum Monte Carlo,Molecular Simulations
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