58 citations · 146 across the 6 of their papers we have counts for
3 papers · 1 filter
Nuclear-Electronic Quantum Dynamics in a Plasmonic Nanocavity
Jonathan H. Fetherolf, Tim Duong, Tao E. Li +1
Plasmonic nanocavities are a promising platform for strong light-matter coupling and enhanced spectroscopies at the single-molecule level. These nanoscale environments are challeng…
Nuclear-electronic orbital second-order coupled cluster for excited states
Jonathan H. Fetherolf, Fabijan Pavošević, Sharon Hammes-Schiffer
Excited-state methods within the nuclear--electronic orbital (NEO) framework have the potential to capture vibrational, electronic, and vibronic transitions in a single calculation…
Vibrational Heat-Bath Configuration Interaction
Jonathan H. Fetherolf, Timothy C. Berkelbach
We introduce vibrational heat-bath configuration interaction (VHCI) as an accurate and efficient method for calculating vibrational eigenstates of anharmonic systems. Inspired by i…