50 citations · 147 across the 8 of their papers we have counts for
8 papers
Towards Large-Scale AFQMC Calculations: Large Time Step Auxiliary-Field Quantum Monte Carlo
Zoran Sukurma, Martin Schlipf, Moritz Humer +2
We report modifications of the ph-AFQMC algorithm that allow the use of large time steps and reliable time step extrapolation. Our modified algorithm eliminates size-consistency er…
Phaseless auxiliary field quantum Monte Carlo with projector-augmented wave method for solids
Amir Taheridehkordi, Martin Schlipf, Zoran Sukurma +3
We implement the phaseless auxiliary field quantum Monte Carlo method using the plane-wave based projector augmented wave method and explore the accuracy and the feasibility of app…
Benchmark Phaseless Auxiliary-Field Quantum Monte Carlo Method for Small Molecules
Z. Sukurma, M. Schlipf, M. Humer +2
We report a scalable Fortran implementation of the phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) and demonstrate its excellent performance and beneficial scaling with re…
Approaching the basis-set limit of the dRPA correlation energy with explicitly correlated and Projector Augmented-wave methods
Moritz Humer, Michael E. Harding, Martin Schlipf +4
The direct random-phase approximation (dRPA) is used to calculate and compare atomization energies for the HEAT set and 10 selected molecules of the G2-1 set using both plane waves…
Critical behavior of the classical spin-1 Ising model: a combined low-temperature series expansion and Metropolis Monte Carlo analysis
Amir Taheridehkordi, Roberto Zivieri
In this paper, we theoretically study the critical properties of the classical spin-1 Ising model using two approaches: 1) the analytical low-temperature series expansion and 2) th…
Algorithmic approach to diagrammatic expansions for real-frequency evaluation of susceptibility functions
Amir Taheridehkordi, S. H. Curnoe, J. P. F. LeBlanc
We systematically generate the perturbative expansion for the two-particle spin susceptibility in the Feynman diagrammatic formalism and apply this expansion to a model system - th…
Optimal grouping of arbitrary diagrammatic expansions via analytic pole structure
Amir Taheridehkordi, S. H. Curnoe, J. P. F. LeBlanc
We present a general method to optimize the evaluation of Feynman diagrammatic expansions, which requires the automated symbolic assignment of momentum/energy conserving variables…
Algorithmic Matsubara Integration for Hubbard-like models
Amir Taheridehkordi, S. H. Curnoe, J. P. F. LeBlanc
We present an algorithm to evaluate Matsubara sums for Feynman diagrams comprised of bare Green's functions with single-band dispersions with local U Hubbard interaction vertices.…