39 citations · 39 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2025★ 39 cited
Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics
Léon E. Cigrang, Basile F. E. Curchod, Rebecca A. Ingle +42
Simulating the coupled electronic and nuclear response of a molecule to light excitation requires the application of nonadiabatic molecular dynamics. However, when faced with a spe…
physics.chem-ph2022
2D-Block Geminals: a non 1-orthogonal and non 0-seniority model with reduced computational complexity
Patrick Cassam-Chenaï, Thomas Perez, Davide Accomasso
We present a new geminal product wave function ansatz where the geminals are not constrained to be strongly orthogonal nor to be of seniority zero. Instead, we introduce weaker ort…