699 citations · 846 across the 15 of their papers we have counts for
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Converging finite-temperature many-body perturbation theory that conserves the average number of electrons
So Hirata, Punit K. Jha
A finite-temperature perturbation theory for the grand canonical ensemble is introduced that expands chemical potential in a perturbation series and conserves the average number of…
Grid-based diffusion Monte Carlo for fermions without the fixed-node approximation
Alexander A. Kunitsa, So Hirata
A diffusion Monte Carlo algorithm is introduced that can determine the correct nodal structure of the wave function of a few-fermion system and its ground-state energy without an u…
Numerical Evidence Invalidating Finite-Temperature Many-Body Perturbation Theory
Punit K. Jha, So Hirata
Low-order perturbation corrections to the electronic grand potential, internal energy, chemical potential, and entropy of a gas of noninteracting, identical molecules at a nonzero…
Sparse Low Rank Approximation of Potential Energy Surfaces with Applications in Estimation of Anharmonic Zero Point Energies and Frequencies
Prashant Rai, Khachik Sargsyan, Habib Najm +1
We propose a method that exploits sparse representation of potential energy surfaces (PES) on a polynomial basis set selected by compressed sensing. The method is useful for studie…