| VeloxChem: A Python‐driven density‐functional theory program for spectroscopy simulations in high‐performance computing environments Z Rinkevicius, X Li, O Vahtras, K Ahmadzadeh, M Brand, M Ringholm, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (5), e1457, 2020 | 52 | 2020 |
| Gator: A Python‐driven program for spectroscopy simulations using correlated wave functions DR Rehn, Z Rinkevicius, MF Herbst, X Li, M Scheurer, M Brand, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (6), e1528, 2021 | 19 | 2021 |
| Size-dependent polarizabilities and van der Waals dispersion coefficients of fullerenes from large-scale complex polarization propagator calculations M Brand, K Ahmadzadeh, X Li, Z Rinkevicius, WA Saidi, P Norman The Journal of Chemical Physics 154 (7), 2021 | 6 | 2021 |
| Efficient implementation of isotropic cubic response functions for two-photon absorption cross sections within the self-consistent field approximation K Ahmadzadeh, M Scott, M Brand, O Vahtras, X Li, Z Rinkevicius, ... The Journal of Chemical Physics 154 (2), 2021 | 5 | 2021 |
| Nontrivial spectral band progressions in electronic circular dichroism spectra of carbohelicenes revealed by linear response calculations M Brand, P Norman Physical Chemistry Chemical Physics 24 (32), 19321-19332, 2022 | 3 | 2022 |
| Vibrationally-resolved Electronic Spectra V Barone, J Bloino, M Biczysko | 1 | 2009 |
| Efficient and Parallel Implementation of Real and Complex Response Functions Employing the Second-Order Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator M Brand, A Dreuw, P Norman, X Li Journal of Chemical Theory and Computation 20 (1), 103-113, 2023 | | 2023 |
| Efficient parallel implementation of complex response functions employing the algebraic-diagrammatic construction scheme M Brand, A Dreuw, P Norman, X Li | | 2022 |
| Implementation of complex polarization propagator theory for linear response properties of large molecular systems M Brand KTH Royal Institute of Technology, 2022 | | 2022 |
| Gator DR Rehn, Z Rinkevicius, MF Herbst, X Li, M Scheurer, M Brand, ... | | 2021 |
| New and efficient Python/C plus plus modular library for real and complex response functions at the level of Kohn-Sham density functional theory Z Rinkevicius, L Xin, O Vahtras, M Brand, K Ahmadzadeh, M Ringholm, ... Abstracts of Papers of the American Chemical Society 257, 2019 | | 2019 |
Patrick NormanKTH Royal Institute of Technology在 kth.se 的电子邮件经过验证
