Thomas Bondo Pedersen
Overview
Explore the profile of Thomas Bondo Pedersen including associated specialties, affiliations and a list of published articles.
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44
Citations
595
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Recent Articles
1.
Kristiansen H, Kvernmoen H, Kvaal S, Pedersen T
J Phys Chem A
. 2025 Mar;
129(10):2638-2654.
PMID: 40029952
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 determinant. The...
2.
Wang Z, Kristiansen H, Pedersen T, Crawford T
J Phys Chem A
. 2025 Feb;
129(7):1908-1927.
PMID: 39921667
In order to explore the effects of high levels of electron correlation on the real-time coupled cluster formalism and algorithmic behavior, we introduce a time-dependent implementation of the CC3 singles,...
3.
Schrader S, Pedersen T, Kvaal S
J Chem Phys
. 2025 Jan;
162(2.
PMID: 39774898
In a previous publication [S. E. Schrader et al., J. Chem. Phys. 161, 044105 (2024)], it has been shown that Rothe's method can be used to solve the time-dependent Schrödinger...
4.
Schrader S, Kristiansen H, Pedersen T, Kvaal S
J Chem Phys
. 2024 Jul;
161(4).
PMID: 39037132
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 molecules in intense...
5.
Wozniak A, Adamowicz L, Pedersen T, Kvaal S
J Phys Chem A
. 2024 Apr;
128(18):3659-3671.
PMID: 38687971
The assumptions underpinning the adiabatic Born-Oppenheimer (BO) approximation are broken for molecules interacting with attosecond laser pulses, which generate complicated coupled electronic-nuclear wave packets that generally will have components of...
6.
Ofstad B, Wibowo-Teale M, Kristiansen H, Aurbakken E, Kitsaras M, Schoyen O, et al.
J Chem Phys
. 2023 Nov;
159(20).
PMID: 38018753
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 field strength, the formulation allows us to...
7.
Hauge E, Kristiansen H, Konecny L, Kadek M, Repisky M, Pedersen T
J Chem Theory Comput
. 2023 Oct;
19(21):7764-7775.
PMID: 37874968
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-time calculations of the electronic absorption spectrum require...
8.
Faulstich F, Kristiansen H, Csirik M, Kvaal S, Pedersen T, Laestadius A
J Phys Chem A
. 2023 Oct;
127(43):9106-9120.
PMID: 37874274
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 that is rooted in the mathematical...
9.
Ofstad B, Kristiansen H, Aurbakken E, Schoyen O, Kvaal S, Pedersen T
J Chem Phys
. 2023 Apr;
158(15).
PMID: 37093994
Real-time simulations of laser-driven electron dynamics contain information about molecular optical properties through all orders in response theory. These properties can be extracted by assuming convergence of the power series...
10.
Kristiansen H, Ofstad B, Hauge E, Aurbakken E, Schoyen O, Kvaal S, et al.
J Chem Theory Comput
. 2022 Aug;
18(9):5755-5757.
PMID: 36008087
No abstract available.