34 citations · 123 across the 14 of their papers we have counts for
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Chemical Interpretation of Time-Dependent Coupled-Cluster Theory
Aparna Krishnan, Håkon Emil Kristiansen, Benjamin G. Peyton +2
While providing a highly accurate framework for simulating laser-induced many-electron dynamics in atom and molecules, including linear and nonlinear steady-state and transient abs…
Ultrafast laser-driven quantum dynamics in positronium chloride
Einar Aurbakken, Håkon Emil Kristiansen, Simen Kvaal +2
We present a computational study of the laser-driven quantum dynamics of positronium (Ps), PsH, and PsCl at the time-dependent Hartree-Fock level of theory. To eliminate finite-bas…
Time-dependent Gaussian basis sets for many-body systems using Rothe's method: A mean-field study
Simon Elias Schrader, Håkon Emil Kristiansen, Thomas Bondo Pedersen +1
A challenge in modeling time-dependent strong-field processes such as high-harmonic generation for many-body systems, is how to effectively represent the electronic continuum. We a…
Configuration weights in coupled-cluster theory
Håkon Emil Kristiansen, Håkon Kvernmoen, Simen Kvaal +1
We introduce a simple definition of the weight of any given Slater determinant in the coupled-cluster state, namely as the expectation value of the projection operator onto that de…
Time evolution as an optimization problem: The hydrogen atom in strong laser fields in a basis of time-dependent Gaussian wave packets
Simon Elias Schrader, Håkon Emil Kristiansen, Thomas Bondo Pedersen +1
Recent advances in attosecond science have made it increasingly important to develop stable, reliable and accurate algorithms and methods to model the time evolution of atoms and m…
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…
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…