150 citations · 1.2k across the 28 of their papers we have counts for
3 papers · 1 filter
Accelerating convergence to the thermodynamic limit with twist angle selection applied to methods beyond many-body perturbation theory
Tina N. Mihm, William Z. Van Benschoten, James J. Shepherd
We recently developed a scheme to use low-cost calculations to find a single twist angle where the couple cluster doubles energy of a single calculation matches the twist-averaged…
Power laws used to extrapolate the coupled cluster correlation energy to the thermodynamic limit
Tina N Mihm, Bingdi Yang, James J. Shepherd
Recent calculations using coupled cluster on solids have raised discussion of using a power law to fit the correlation energy when extrapolating to the thermodynamic lim…
NECI: N-Electron Configuration Interaction with emphasis on state-of-the-art stochastic methods
Kai Guther, Robert J. Anderson, Nick S. Blunt +22
We present NECI, a state-of-the-art implementation of the Full Configuration Interaction Quantum Monte Carlo algorithm, a method based on a stochastic application of the Hamiltonia…