2 papers
physics.chem-ph2025
The role of charge resonances in the benzene dimer
Alice Balbi, Andrea Rygg Aagaard, Sarai Dery Folkestad +1
Modern electronic-structure theory defines dispersion interactions as connected intramonomer excitations. Using this definition, dispersion contributions have been shown in literat…
physics.chem-ph2025
eT 2.0: An efficient open-source molecular electronic structure program
Sarai Dery Folkestad, Eirik F. Kjønstad, Alexander C. Paul +34
The eT program is an open-source electronic structure program with emphasis on performance and modularity. As its name suggests, the program features extensive coupled cluster capa…