Force field parametrization of metal ions from statistical learning techniques F Fracchia, G Del Frate, G Mancini, W Rocchia, V Barone Journal of chemical theory and computation 14 (1), 255-273, 2018 | 56 | 2018 |
Size-extensive wave functions for quantum Monte Carlo: A linear scaling generalized valence bond approach F Fracchia, C Filippi, C Amovilli Journal of chemical theory and computation 8 (6), 1943-1951, 2012 | 42 | 2012 |
Barrier heights in quantum Monte Carlo with linear-scaling generalized-valence-bond wave functions F Fracchia, C Filippi, C Amovilli Journal of chemical theory and computation 9 (8), 3453-3462, 2013 | 17 | 2013 |
Assessment of multireference perturbation methods for chemical reaction barrier heights F Fracchia, R Cimiraglia, C Angeli The Journal of Physical Chemistry A 119 (21), 5490-5495, 2015 | 16 | 2015 |
Multi‐level quantum monte Carlo wave functions for complex reactions: The decomposition of α‐hydroxy‐dimethylnitrosamine F Fracchia, C Filippi, C Amovilli Journal of computational chemistry 35 (1), 30-38, 2014 | 8 | 2014 |
Quantum Monte Carlo calculations of the dimerization energy of borane F Fracchia, D Bressanini, G Morosi The Journal of chemical physics 135 (9), 2011 | 7 | 2011 |
On the accuracy of pseudopotentials designed for QMC calculations on molecules of the first row atoms F Fracchia, C Amovilli Chemical Physics Letters 521, 20-25, 2012 | 6 | 2012 |
Development of the quantum Monte Carlo method to treat molecules and processes of biological interest F FRACCHIA | | 2013 |
Quantum Monte Carlo meets Quantum Chemistry: new approaches for electron correlation L Maschio | | |
Size-Extensive Wave Functions for Quantum Monte Carlo: A Linear Scaling Generalized Valence Bond Approach C Filippi, F Fracchia, C Amovilli | | |
Assessment of the J-LGVBn wave functions in quantum Monte Carlo calculations F Fracchia | | |