127 citations · 127 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2026
Excited States from Restricted Open Shell Plane-Wave DFT
Michael J. Sahre, Marco Romanelli, Martijn Marsman +2
Variational excited-state density functional theory (DFT) enables the calculation of excited states at a cost comparable to ground-state calculations, but single-configuration appr…
quant-ph2023★ 127 cited
Drug design on quantum computers
Raffaele Santagati, Alan Aspuru-Guzik, Ryan Babbush +12
Quantum computers promise to impact industrial applications, for which quantum chemical calculations are required, by virtue of their high accuracy. This perspective explores the c…