145 citations · 207 across the 6 of their papers we have counts for
6 papers
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…
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…
Coupled cluster simulation of impulsive stimulated X-ray Raman scattering
Alice Balbi, Andreas S. Skeidsvoll, Henrik Koch
Time-dependent equation-of-motion coupled cluster (TD-EOM-CC) is used to simulate impulsive stimulated x-ray Raman scattering (ISXRS) of ultrashort laser pulses by neon, carbon mon…
Simulating weak-field attosecond processes with a Lanczos reduced basis approach to time-dependent equation of motion coupled cluster theory
Andreas S. Skeidsvoll, Torsha Moitra, Alice Balbi +3
A time-dependent equation of motion coupled cluster singles and doubles (TD-EOM-CCSD) method is implemented, which uses a reduced basis calculated with the asymmetric band Lanczos…
Time-dependent coupled cluster theory for ultrafast transient absorption spectroscopy
Andreas S. Skeidsvoll, Alice Balbi, Henrik Koch
We present a spin-adapted time-dependent coupled cluster singles and doubles model for the molecular response to a sequence of ultrashort laser pulses. The implementation is used t…
eT 1.0: an open source electronic structure program with emphasis on coupled cluster and multilevel methods
Sarai D. Folkestad, Eirik F. Kjønstad, Rolf H. Myhre +14
The eT program is an open source electronic structure package with emphasis on coupled cluster and multilevel methods. It includes efficient spin adapted implementations of ground…