Search Results for “Quantum Monte carlo ”

Center for Computational Quantum Physics
February 11, 2019

Finite-temperature auxiliary-field quantum Monte Carlo: Self-consistent constraint and systematic approach to low temperatures

Center for Computational Quantum Physics
February 11, 2019

Auxiliary Field Quantum Monte Carlo for Multiband Hubbard Models: Controlling the Sign and Phase Problems to Capture Hund’s Physics

Center for Computational Quantum Physics
May 19, 2020

Predicting Ligand-Dissociation Energies of 3d Coordination Complexes with Auxiliary-Field Quantum Monte Carlo

Center for Computational Quantum Physics
May 19, 2021

Pseudo-BCS wave function from density matrix decomposition: Application in auxiliary-field quantum Monte Carlo

Center for Computational Quantum Physics
May 19, 2021

In silico prediction of annihilators for triplet–triplet annihilation upconversion via auxiliary-field quantum Monte Carlo

Center for Computational Quantum Physics
March 23, 2022

Ab initio electronic density in solids by many-body plane-wave auxiliary-field quantum Monte Carlo calculations