2 citations · 2 across the 11 of their papers we have counts for
4 papers · 1 filter
Optimizing and benchmarking the computation of the permanent of general matrices
Cassandra Masschelein, Michelle Richer, Paul W. Ayers
Evaluating the permanent of a matrix is a fundamental computation that emerges in many domains, including traditional fields like computational complexity theory, graph theory, man…
A new family of seniority-restricted coupled cluster methods
Ramón Alain Miranda-Quintana, Rugwed Lokhande, Carlos E. V. de Moura +2
We introduce a novel class of coupled cluster (CC) methods that leverage the seniority concept to enhance efficiency and accuracy in electronic structure calculations. While existi…
Seniority-zero Linear Canonical Transformation Theory
Daniel F. Calero-Osorio, Paul W. Ayers
We propose a method to solve the electronic Schrödinger equation for strongly correlated systems by applying a unitary transformation to reduce the complexity of the physical Hamil…
Paying attention to long-range electron correlation: a size-independent deep-learning approach to predicting molecules' electronic energies from one- and two-electron integrals
Valerii Chuiko, Giovanni B. Da Rosa, Paul W. Ayers
We propose a descriptor for molecular electronic structure that is based solely on the one- and two-electron integrals but is translationally, rotationally, and unitarily invariant…