699 citations · 742 across the 3 of their papers we have counts for
10 papers
Finite-temperature many-body perturbation theory for electrons: Algebraic recursive definitions, second-quantized derivation, linked-diagram theorem, general-order algorithms, grand canonical and canonical ensembles
So Hirata
A comprehensive and detailed account is presented for the finite-temperature many-body perturbation theory for electrons that expands in power series all thermodynamic functions on…
Low-temperature breakdown of many-body perturbation theory for thermodynamics
So Hirata
It is shown analytically and numerically that the finite-temperature many-body perturbation theory in the grand canonical ensemble has zero radius of convergence at zero temperatur…
NWChem: Past, Present, and Future
E. Aprà, E. J. Bylaska, W. A. de Jong +111
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts…
Finite-temperature many-body perturbation theory in the grand canonical ensemble
So Hirata, Punit K. Jha
A finite-temperature many-body perturbation theory is presented that expands in power series the electronic grand potential, chemical potential, internal energy, and entropy on an…
Finite-Temperature Many-Body Perturbation Theory in the Canonical Ensemble
Punit K. Jha, So Hirata
Benchmark data are presented for the zeroth- through third-order many-body perturbation corrections to the electronic Helmholtz energy, internal energy, and entropy in the canonica…
Scalable approximation of Green's function for estimation of anharmonic energy corrections
Prashant Rai, Khachik Sargsyan, Habib Najm +1
A method based on separated integration to estimate anharmonic corrections to energy and vibration of molecules in a second-order diagrammatic vibrational many-body Green's functio…