3 papers
physics.chem-ph2026
Low-rank compression of two-electron reduced density matrices
Kemal Atalar, Hugh G. A. Burton, Andreas Grüneis +1
Two-body reduced density matrices (2RDMs) encode the essential two-electron physics of electronic states, but their quartic storage cost poses a major limitation in practical workf…
cond-mat.str-el2025
Bayesian perspectives for quantum states and application to ab initio quantum chemistry
Yannic Rath, Massimo Bortone, George H. Booth
The quantum many-electron problem is not just at the heart of condensed matter phenomena, but also essential for first-principles simulation of chemical phenomena. Strong correlati…
quant-ph2024
Simple Fermionic backflow states via a systematically improvable tensor decomposition
Massimo Bortone, Yannic Rath, George H. Booth
We present an effective ansatz for the wave function of correlated electrons that brings closer the fields of machine learning parameterizations and tensor rank decompositions. We…