76 citations · 186 across the 11 of their papers we have counts for
11 papers
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…
No need for a grid: Adaptive fully-flexible gaussians for the time-dependent Schrödinger equation
Simen Kvaal, Caroline Lasser, Thomas Bondo Pedersen +1
Linear combinations of complex gaussian functions, where the linear and nonlinear parameters are allowed to vary, are shown to provide an extremely flexible and effective approach…
Laser-induced dynamic alignment of the HD molecule without the Born-Oppenheimer approximation
Ludwik Adamowicz, Simen Kvaal, Caroline Lasser +1
Laser-induced molecular alignment is well understood within the framework of the Born-Oppenheimer (BO) approximation Without the BO approximation, however, the concept of molecular…
Linear and nonlinear optical properties from TDOMP2 theory
Håkon Emil Kristiansen, Benedicte Sverdrup Ofstad, Eirill Hauge +4
In this work we present a derivation of the real-time time-dependent orbital-optimized Møller-Plesser TDOMP2 and its biorthogonal companion, time-dependent non-orthogonal OMP2 (TDN…
Interpretation of Coupled-Cluster Many-Electron Dynamics in Terms of Stationary States
Thomas Bondo Pedersen, Håkon Emil Kristiansen, Tilmann Bodenstein +2
We demonstrate theoretically and numerically that laser-driven many-electron dynamics, as described by bivariational time-dependent coupled-cluster theory, may be analyzed in terms…
Numerical stability of time-dependent coupled-cluster methods for many-electron dynamics in intense laser pulses
Håkon Emil Kristiansen, Øyvind Sigmundson Schøyen, Simen Kvaal +1
We investigate the numerical stability of time-dependent coupled-cluster theory for many-electron dynamics in intense laser pulses, comparing two coupled-cluster formulations with…
Symplectic integration and physical interpretation of time-dependent coupled-cluster theory
Thomas Bondo Pedersen, Simen Kvaal
The formulation of the time-dependent Schrodinger equation in terms of coupled-cluster theory is outlined, with emphasis on the bivariational framework and its classical Hamiltonia…