| OpenMolcas: From source code to insight I Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ... Journal of chemical theory and computation 15 (11), 5925-5964, 2019 | 721 | 2019 |
| Time-dependent generalized-active-space configuration-interaction approach to photoionization dynamics of atoms and molecules S Bauch, LK Sørensen, LB Madsen Physical Review A 90 (6), 062508, 2014 | 90 | 2014 |
| Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method M Guo, LK Sørensen, MG Delcey, RV Pinjari, M Lundberg Physical Chemistry Chemical Physics 18 (4), 3250-3259, 2016 | 87 | 2016 |
| A relativistic 4-component general-order multi-reference coupled cluster method: initial implementation and application to HBr T Fleig, LK Sørensen, J Olsen Theoretical Chemistry Accounts 118, 347-356, 2007 | 71 | 2007 |
| Four-component relativistic coupled cluster and configuration interaction calculations on the ground and excited states of the RbYb molecule LK Sørensen, S Knecht, T Fleig, CM Marian The Journal of Physical Chemistry A 113 (45), 12607-12614, 2009 | 56 | 2009 |
| Efficient calculations of a large number of highly excited states for multiconfigurational wavefunctions MG Delcey, LK Sørensen, M Vacher, RC Couto, M Lundberg Journal of computational chemistry 40 (19), 1789-1799, 2019 | 54 | 2019 |
| The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ... Journal of Chemical Theory and Computation 19 (20), 6933-6991, 2023 | 53 | 2023 |
| Applications to metal K pre-edges of transition metal dimers illustrate the approximate origin independence for the intensities in the length representation LK Sørensen, M Guo, R Lindh, M Lundberg Molecular Physics 115 (1-2), 174-189, 2017 | 42 | 2017 |
| Molecular orbital simulations of metal 1s2p resonant inelastic X-ray scattering M Guo, E Kallman, LK Sørensen, MG Delcey, RV Pinjari, M Lundberg The Journal of Physical Chemistry A 120 (29), 5848-5855, 2016 | 36 | 2016 |
| Two-and four-component relativistic generalized-active-space coupled cluster method: Implementation and application to BiH LK Sørensen, J Olsen, T Fleig The Journal of chemical physics 134 (21), 2011 | 33 | 2011 |
| Extended discrete interaction model: plasmonic excitations of silver nanoparticles VI Zakomirnyi, Z Rinkevicius, GV Baryshnikov, LK Sørensen, H Ågren The Journal of Physical Chemistry C 123 (47), 28867-28880, 2019 | 25 | 2019 |
| Fingerprinting electronic structure of heme iron by ab initio modeling of metal L-edge X-ray absorption spectra M Guo, E Kallman, RV Pinjari, RC Couto, L Kragh Sørensen, R Lindh, ... Journal of Chemical Theory and Computation 15 (1), 477-489, 2018 | 25 | 2018 |
| Correlation effects in strong-field ionization of heteronuclear diatomic molecules HR Larsson, S Bauch, LK Sørensen, M Bonitz Physical Review A 93 (1), 013426, 2016 | 25 | 2016 |
| Accurate calculations of the ground state and low-lying excited states of the (RbBa)+ molecular ion: a proposed system for ultracold reactive collisions S Knecht, LK Sørensen, HJA Jensen, T Fleig, CM Marian Journal of Physics B: Atomic, Molecular and Optical Physics 43 (5), 055101, 2010 | 22 | 2010 |
| Spectroscopic and electric properties of the LiCs molecule: a coupled cluster study including higher excitations LK Sørensen, T Fleig, J Olsen Journal of Physics B: Atomic, Molecular and Optical Physics 42 (16), 165102, 2009 | 21 | 2009 |
| Excitation energies from relativistic coupled-cluster theory of general excitation rank: Initial implementation and application to the silicon atom and to the molecules H … M Hubert, LK Sørensen, J Olsen, T Fleig Physical Review A 86 (1), 012503, 2012 | 20 | 2012 |
| Gauge origin independence in finite basis sets and perturbation theory LK Sørensen, R Lindh, M Lundberg Chemical Physics Letters 683, 536-542, 2017 | 19 | 2017 |
| Plasmonic nano-shells: atomistic discrete interaction versus classic electrodynamics models VI Zakomirnyi, IL Rasskazov, LK Sørensen, PS Carney, Z Rinkevicius, ... Physical Chemistry Chemical Physics 22 (24), 13467-13473, 2020 | 18 | 2020 |
| Implementation of a semiclassical light-matter interaction using the Gauss-Hermite quadrature: A simple alternative to the multipole expansion LK Sørensen, E Kieri, S Srivastav, M Lundberg, R Lindh Physical Review A 99 (1), 013419, 2019 | 17 | 2019 |
| A relativistic four-and two-component generalized-active-space coupled cluster method LK Sorensen, T Fleig, S Olsen Zeitschrift für Physikalische Chemie 224 (3-4), 671-680, 2010 | 16 | 2010 |
Marcus LundbergDepartment of Chemistry - Ångström Laboratory, Uppsala UniversityVerified email at kemi.uu.se
