Search Results for “Quantum Monte carlo ”

Center for Computational Quantum Physics
May 19, 2020

Ab Initio Electronic Structure Calculations by Auxiliary-Field Quantum Monte Carlo

Center for Computational Quantum Physics
May 19, 2020

Efficient ab initio auxiliary-field quantum Monte Carlo calculations in Gaussian bases via low-rank tensor decomposition

Center for Computational Quantum Physics
May 19, 2020

On Achieving High Accuracy in Quantum Chemical Calculations of 3d Transition Metal Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo with Coupled Cluster, Density Functional Theory, and Experiment for Diatomic Molecules

Center for Computational Quantum Physics
May 19, 2020

Local embedding and effective downfolding in the auxiliary-field quantum Monte Carlo method

Center for Computational Quantum Physics
May 19, 2020

Biexciton Condensation in Electron-hole Doped Hubbard Bilayers — A Sign-Problem-Free Quantum Monte Carlo Study

Center for Computational Quantum Physics
May 06, 2020

Metal-Insulator and Magnetic Phase Diagram of Ca2RuO4 from Auxiliary Field Quantum Monte Carlo and Dynamical Mean Field Theory