The direct approach to gravitation and electrostatics method for periodic systems SA Losilla, D Sundholm, J Jusélius The Journal of chemical physics 132 (2), 2010 | 32 | 2010 |
A divide and conquer real-space approach for all-electron molecular electrostatic potentials and interaction energies SA Losilla, D Sundholm The Journal of chemical physics 136 (21), 2012 | 31 | 2012 |
Tensor-decomposed vibrational coupled-cluster theory: Enabling large-scale, highly accurate vibrational-structure calculations NK Madsen, IH Godtliebsen, SA Losilla, O Christiansen The Journal of Chemical Physics 148 (2), 2018 | 21 | 2018 |
MidasCpp (molecular interactions, dynamics and simulation chemistry program package in C++) O Christiansen, IH Godtliebsen, EM Gras, W Győrffy, MB Hansen, ... University of Aarhus,, 2016 | 17 | 2016 |
The grid-based fast multipole method–a massively parallel numerical scheme for calculating two-electron interaction energies EA Toivanen, SA Losilla, D Sundholm Physical Chemistry Chemical Physics 17 (47), 31480-31490, 2015 | 16 | 2015 |
Construction of the fock matrix on a grid-based molecular orbital basis using gpgpus SA Losilla, MA Watson, A Aspuru-Guzik, D Sundholm Journal of Chemical Theory and Computation 11 (5), 2053-2062, 2015 | 15 | 2015 |
A generalized grid-based fast multipole method for integrating Helmholtz kernels P Parkkinen, SA Losilla, E Solala, EA Toivanen, WH Xu, D Sundholm Journal of Chemical Theory and Computation 13 (2), 654-665, 2017 | 14 | 2017 |
MidasCpp (Molecular Interactions, Dynamics and Simulation Chemistry Program Package in C++), University of Aarhus, 2016 O Christiansen, IH Godtliebsen, EM Gras, W Győrffy, MB Hansen, ... | 14 | |
Optimization of numerical orbitals using the Helmholtz kernel E Solala, SA Losilla, D Sundholm, W Xu, P Parkkinen The Journal of Chemical Physics 146 (8), 2017 | 9 | 2017 |
An efficient algorithm to calculate three-electron integrals for Gaussian-type orbitals using numerical integration MM Mehine, SA Losilla, D Sundholm Molecular Physics 111 (16-17), 2536-2543, 2013 | 6 | 2013 |
Construction of the two-electron contribution to the Fock matrix by numerical integration SA Losilla, MM Mehine, D Sundholm Molecular Physics 110 (19-20), 2569-2578, 2012 | 6 | 2012 |
MidasCpp: Molecular interactions, dynamics and simulations Chemistry program package in C++. 2019 O Christiansen, IH Godtliebsen, EM Gras, W Győrffy, MB Hansen, ... | 6 | |