2 papers
physics.chem-ph2025
Analysis of fourth-, fifth-, and infinite-order triple excitations in unitary coupled cluster theory
Zachary W. Windom, Daniel Claudino
In this work, we introduce a correction to the unitary coupled cluster method with single and double excitations (UCCSD) that incorporates the effects of missing triple excitations…
physics.chem-ph2025
Toward the "platinum standard" of quantum chemistry on quantum computers: perturbative quadruple corrections in unitary coupled cluster theory
Zachary W. Windom, Luke Bertels, Daniel Claudino +1
We propose a non-iterative, post hoc correction to the unitary coupled cluster theory with single, double, and triple excitations (UCCSDT) ansatz, which considers the leading-order…