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Quantum Chemistry
Hybrid Auxiliary Field Quantum Monte Carlo for Molecular Systems
arXiv
Authors: Yixiao Chen, Linfeng Zhang, Weinan E, Roberto Car
Year
2022
Paper ID
6675
Status
Preprint
Abstract Read
~2 min
Abstract Words
65
Citations
N/A
Abstract
We propose a quantum Monte Carlo approach to solve the ground state many-body Schrodinger equation for the electronic ground state. The method combines optimization from variational Monte Carlo and propagation from auxiliary field quantum Monte Carlo, in a way that significantly alleviates the sign problem. In application to molecular systems, we obtain highly accurate results for configurations dominated by either dynamic or static electronic correlation.
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- This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
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- We propose a quantum Monte Carlo approach to solve the ground state many-body Schrodinger equation for the electronic ground state.
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