76 citations · 186 across the 11 of their papers we have counts for
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Magnetic Optical Rotation from Real-Time Simulations in Finite Magnetic Fields
Benedicte Sverdrup Ofstad, Meilani Wibowo-Teale, Håkon Emil Kristiansen +8
We present a numerical approach to magnetic optical rotation based on real-time time-dependent electronic-structure theory. Not relying on perturbation expansions in the magnetic-f…
Transient spectroscopy from time-dependent electronic-structure theory without multipole expansions
Einar Aurbakken, Benedicte Sverdrup Ofstad, Håkon Emil Kristiansen +5
Based on the work done by an electromagnetic field on an atomic or molecular electronic system, a general gauge invariant formulation of transient absorption spectroscopy is presen…
Cost-Efficient High-Resolution Linear Absorption Spectra Through Extrapolating the Dipole Moment from Real-Time Time-Dependent Electronic-Structure Theory
Eirill Hauge, Håkon Emil Kristiansen, Lukas Konecny +3
We present a novel function fitting method for approximating the propagation of the time-dependent electric dipole moment from real-time electronic structure calculations. Real-tim…
Adiabatic extraction of nonlinear optical properties from real-time time-dependent electronic-structure theory
Benedicte Sverdrup Ofstad, Håkon Emil Kristiansen, Einar Aurbakken +3
Real-time simulations of laser-driven electron dynamics contain information about molecular optical properties through all orders in response theory. These properties can be extrac…
The -diagnostic -- an a posteriori error assessment for single-reference coupled-cluster methods
Fabian M. Faulstich, Håkon E. Kristiansen, Mihaly A. Csirik +3
We propose a novel a posteriori error assessment for the single-reference coupled-cluster (SRCC) method called the -diagnostic. We provide a derivation of the -diagnostic tha…