34 citations · 123 across the 14 of their papers we have counts for
14 papers
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…
Coulomb interaction-driven entanglement of electrons on helium
Niyaz R. Beysengulov, Johannes Pollanen, Øyvind S. Schøyen +8
The generation and evolution of entanglement in quantum many-body systems is an active area of research that spans multiple fields, from quantum information science to the simulati…
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…