Ab initio quantum dynamics using coupled-cluster S Kvaal The Journal of chemical physics 136 (19), 2012 | 158 | 2012 |
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 | 132 | 2022 |
Differentiable but exact formulation of density-functional theory S Kvaal, U Ekström, AM Teale, T Helgaker The Journal of chemical physics 140 (18), 2014 | 74 | 2014 |
Symplectic integration and physical interpretation of time-dependent coupled-cluster theory TB Pedersen, S Kvaal The Journal of chemical physics 150 (14), 2019 | 73 | 2019 |
Choice of basic variables in current-density-functional theory EI Tellgren, S Kvaal, E Sagvolden, U Ekström, AM Teale, T Helgaker Physical Review A 86 (6), 062506, 2012 | 71 | 2012 |
Multiconfigurational time-dependent Hartree method to describe particle loss due to absorbing boundary conditions S Kvaal Physical Review A 84 (2), 022512, 2011 | 55 | 2011 |
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 | 54 | 2019 |
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 | 48 | 2014 |
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 | 39 | 2020 |
Harmonic oscillator eigenfunction expansions, quantum dots, and effective interactions S Kvaal Physical Review B 80 (4), 045321, 2009 | 38 | 2009 |
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 | 37 | 2019 |
Ab initio computation of the energies of circular quantum dots MP Lohne, G Hagen, M Hjorth-Jensen, S Kvaal, F Pederiva Physical Review B 84 (11), 115302, 2011 | 34 | 2011 |
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 | 32 | 2010 |
Variational formulations of the coupled-cluster method in quantum chemistry S Kvaal Molecular Physics 111 (9-11), 1100-1108, 2013 | 28 | 2013 |
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 | 26 | 2018 |
Fermion -representability for prescribed density and paramagnetic current density EI Tellgren, S Kvaal, T Helgaker Physical Review A 89 (1), 012515, 2014 | 26 | 2014 |
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 | 24 | 2020 |
Effective interactions, large-scale diagonalization, and one-dimensional quantum dots S Kvaal, M Hjorth-Jensen, HM Nilsen Physical Review B 76 (8), 085421, 2007 | 23 | 2007 |
Analysis of the extended coupled-cluster method in quantum chemistry A Laestadius, S Kvaal SIAM Journal on Numerical Analysis 56 (2), 660-683, 2018 | 22 | 2018 |
Computing all Pairs Such That is a Double Eigenvalue of E Jarlebring, S Kvaal, W Michiels SIAM journal on matrix analysis and applications 32 (3), 902-927, 2011 | 20 | 2011 |