Segui
Simen Kvaal
Simen Kvaal
Researcher at the Hylleraas Centre for Quantum Molecular Sciences
Email verificata su kjemi.uio.no
Titolo
Citata da
Citata da
Anno
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
AM Teale, T Helgaker, A Savin, C Adamo, B Aradi, AV Arbuznikov, ...
Physical chemistry chemical physics 24 (47), 28700-28781, 2022
1642022
Ab initio quantum dynamics using coupled-cluster
S Kvaal
The Journal of chemical physics 136 (19), 2012
1642012
Symplectic integration and physical interpretation of time-dependent coupled-cluster theory
TB Pedersen, S Kvaal
The Journal of chemical physics 150 (14), 2019
832019
Differentiable but exact formulation of density-functional theory
S Kvaal, U Ekström, AM Teale, T Helgaker
The Journal of chemical physics 140 (18), 2014
752014
Choice of basic variables in current-density-functional theory
EI Tellgren, S Kvaal, E Sagvolden, U Ekström, AM Teale, T Helgaker
Physical Review A—Atomic, Molecular, and Optical Physics 86 (6), 062506, 2012
722012
Numerical and theoretical aspects of the DMRG-TCC method exemplified by the nitrogen dimer
FM Faulstich, M Máté, A Laestadius, MA Csirik, L Veis, A Antalik, J Brabec, ...
Journal of chemical theory and computation 15 (4), 2206-2220, 2019
562019
Multiconfigurational time-dependent Hartree method to describe particle loss due to absorbing boundary conditions
S Kvaal
Physical Review A—Atomic, Molecular, and Optical Physics 84 (2), 022512, 2011
552011
An inverse iteration method for eigenvalue problems with eigenvector nonlinearities
E Jarlebring, S Kvaal, W Michiels
SIAM Journal on Scientific Computing 36 (4), A1978-A2001, 2014
532014
Numerical stability of time-dependent coupled-cluster methods for many-electron dynamics in intense laser pulses
HE Kristiansen, ØS Schøyen, S Kvaal, TB Pedersen
The Journal of chemical physics 152 (7), 2020
432020
Analysis of the tailored coupled-cluster method in quantum chemistry
FM Faulstich, A Laestadius, O Legeza, R Schneider, S Kvaal
SIAM Journal on Numerical Analysis 57 (6), 2579-2607, 2019
402019
Harmonic oscillator eigenfunction expansions, quantum dots, and effective interactions
S Kvaal
Physical Review B—Condensed Matter and Materials Physics 80 (4), 045321, 2009
392009
Ab initio computation of the energies of circular quantum dots
M Pedersen Lohne, G Hagen, M Hjorth-Jensen, S Kvaal, F Pederiva
Physical Review B—Condensed Matter and Materials Physics 84 (11), 115302, 2011
352011
Variational formulations of the coupled-cluster method in quantum chemistry
S Kvaal
Molecular Physics 111 (9-11), 1100-1108, 2013
322013
Absorbing boundary conditions for dynamical many-body quantum systems
S Selstø, S Kvaal
Journal of Physics B: Atomic, Molecular and Optical Physics 43 (6), 065004, 2010
322010
Time‐dependent coupled‐cluster theory
B Sverdrup Ofstad, E Aurbakken, Ø Sigmundson Schøyen, HE Kristiansen, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 13 (5), e1666, 2023
282023
Interpretation of coupled-cluster many-electron dynamics in terms of stationary states
TB Pedersen, HE Kristiansen, T Bodenstein, S Kvaal, ØS Schøyen
Journal of Chemical Theory and Computation 17 (1), 388-404, 2020
272020
Uniform magnetic fields in density-functional theory
EI Tellgren, A Laestadius, T Helgaker, S Kvaal, AM Teale
The Journal of chemical physics 148 (2), 2018
262018
Analysis of the extended coupled-cluster method in quantum chemistry
A Laestadius, S Kvaal
SIAM Journal on Numerical Analysis 56 (2), 660-683, 2018
252018
Fermion -representability for prescribed density and paramagnetic current density
EI Tellgren, S Kvaal, T Helgaker
Physical Review A 89 (1), 012515, 2014
242014
Effective interactions, large-scale diagonalization, and one-dimensional quantum dots
S Kvaal, M Hjorth-Jensen, HM Nilsen
Physical Review B—Condensed Matter and Materials Physics 76 (8), 085421, 2007
232007
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
Articoli 1–20