| Including quantum decoherence in surface hopping G Granucci, M Persico, A Zoccante The Journal of Chemical Physics 133 (13), 2010 | 415 | 2010 |
| Linked coupled cluster monte carlo RST Franklin, JS Spencer, A Zoccante, AJW Thom The Journal of Chemical Physics 144 (4), 2016 | 41 | 2016 |
| Towards a traceable enhancement factor in surface-enhanced Raman spectroscopy E Cara, L Mandrile, A Sacco, AM Giovannozzi, AM Rossi, F Celegato, ... Journal of Materials Chemistry C 8 (46), 16513-16519, 2020 | 31 | 2020 |
| Time-dependent vibrational coupled cluster theory: Theory and implementation at the two-mode coupling level MB Hansen, NK Madsen, A Zoccante, O Christiansen The Journal of Chemical Physics 151 (15), 2019 | 21 | 2019 |
| Thermal degradation in ultrathin films outperforms dose control of n-type polymeric dopants for silicon R Chiarcos, V Gianotti, M Cossi, A Zoccante, D Antonioli, K Sparnacci, ... ACS Applied Electronic Materials 1 (9), 1807-1816, 2019 | 20 | 2019 |
| Time-dependent vibrational coupled cluster with variationally optimized time-dependent basis sets NK Madsen, MB Hansen, O Christiansen, A Zoccante The Journal of Chemical Physics 153 (17), 2020 | 15 | 2020 |
| Approximate inclusion of four-mode couplings in vibrational coupled-cluster theory A Zoccante, P Seidler, MB Hansen, O Christiansen The Journal of Chemical Physics 136 (20), 2012 | 14 | 2012 |
| Exponential parameterization of wave functions for quantum dynamics: Time-dependent Hartree in second quantization NK Madsen, MB Hansen, A Zoccante, K Monrad, MB Hansen, ... The Journal of Chemical Physics 149 (13), 2018 | 13 | 2018 |
| Computation of expectation values from vibrational coupled-cluster at the two-mode coupling level A Zoccante, P Seidler, O Christiansen The Journal of chemical physics 134 (15), 2011 | 10 | 2011 |
| MidasCpp (Molecular Interactions, dynamics and simulation Chemistry program package in C++), University of Aarhus, 2014 O Christiansen, IH Godtliebsen, EM Gras, W Gyorffy, MB Hansen, ... | 10 | |
| Bivariational time-dependent wave functions with biorthogonal adaptive basis sets: General formulation and regularization of equations of motion through polar decomposition MG Højlund, AB Jensen, A Zoccante, O Christiansen The Journal of Chemical Physics 157 (23), 2022 | 6 | 2022 |
| Ab initio modeling of 2D and quasi-2D lead organohalide perovskites with divalent organic cations and a tunable band gap A Fraccarollo, A Zoccante, L Marchese, M Cossi Physical Chemistry Chemical Physics 22 (36), 20573-20587, 2020 | 6 | 2020 |
| MidasCpp: Molecular interactions, dynamics and simulations Chemistry program package in C++. 2019 O Christiansen, IH Godtliebsen, EM Gras, W Györffy, MB Hansen, ... | 6 | |
| MidasCpp O Christiansen, D Artiukhin, IH Godtliebsen, EM Gras, W Györffy, ... Molecular interactions, dynamics and simulation in C++/Chemistry program …, 2006 | 5 | 2006 |
| Structure and stability of 7-mercapto-4-methylcoumarin self-assembled monolayers on gold: an experimental and computational analysis D Marchi, E Cara, FF Lupi, P Hönicke, Y Kayser, B Beckhof, M Castellino, ... Physical Chemistry Chemical Physics 24 (36), 22083-22090, 2022 | 4 | 2022 |
| Time-dependent coupled cluster with orthogonal adaptive basis functions: General formalism and application to the vibrational problem MG Højlund, A Zoccante, O Christiansen The Journal of Chemical Physics 160 (2), 2024 | 3 | 2024 |
| Efficient time-dependent vibrational coupled cluster computations with time-dependent basis sets at the two-mode coupling level: Full and hybrid TDMVCC [2] AB Jensen, MG Højlund, A Zoccante, NK Madsen, O Christiansen The Journal of Chemical Physics 159 (20), 2023 | 3 | 2023 |
| General exponential basis set parametrization: Application to time-dependent bivariational wave functions MG Højlund, A Zoccante, O Christiansen The Journal of Chemical Physics 158 (20), 2023 | 3 | 2023 |
| Molecular surface coverage standards by reference-free GIXRF supporting SERS and SEIRA substrate benchmarking E Cara, P Hönicke, Y Kayser, B Beckhoff, AM Giovannozzi, P Klapetek, ... Nanophotonics, 2024 | | 2024 |
| The Thermodynamics of Self Assembled Monolayers Formation: A computational and Experimental Study of Thiols on Flat Gold Surfaces. A Zoccante, E Cara, FF Lupi, P Hönicke, Y Kayser, B Beckhoff, P Klapetek, ... Physical Chemistry Chemical Physics, 2024 | | 2024 |
Ove ChristiansenDepartment of Chemistry, Aarhus University在 chem.au.dk 的电子邮件经过验证
Ove ChristiansenDepartment of Chemistry, Aarhus University在 chem.au.dk 的电子邮件经过验证