AQUILANTE, FRANCESCO
AQUILANTE, FRANCESCO
DIPARTIMENTO DI CHIMICA "GIACOMO CIAMICIAN"
Collaboratori
Converging many-body correlation energies by means of sequence extrapolation
2018 Segarra-Marti, Garavelli, Aquilante
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
2016 Aquilante, Francesco; Autschbach, Jochen; Carlson, Rebecca K.; Chibotaru, Liviu F.; Delcey, Mickaël G.; De Vico, Luca; Ignacio, Fdez. Galván; Ferré, Nicolas; Frutos, Luis Manuel; Gagliardi, Laura; Garavelli, Marco; Giussani, Angelo; Hoyer, Chad E.; Li Manni, Giovanni; Lischka, Hans; Ma, Dongxia; Malmqvist, Per Åke; Müller, Thomas; Nenov, Artur; Olivucci, Massimo; Pedersen, Thomas Bondo; Peng, Daoling; Plasser, Felix; Pritchard, Ben; Reiher, Markus; Rivalta, Ivan; Schapiro, Igor; Segarra-Martí, Javier; Stenrup, Michael; Truhlar, Donald G.; Ungur, Liviu; Valentini, Alessio; Vancoillie, Steven; Veryazov, Valera; Vysotskiy, Victor P.; Weingart, Oliver; Zapata, Felipe; Lindh, Roland
Multiconfigurational Second-Order Perturbation Theory with Frozen Natural Orbitals Extended to the Treatment of Photochemical Problems
2015 Segarra-Martí, Javier; Garavelli, Marco; Aquilante, Francesco
A two-scale approach to electron correlation in multiconfigurational perturbation theory
2014 Pooria Farahani;Daniel Roca-Sanjuán;Francesco Aquilante
Analytical gradients of complete active space self-consistent field energies using Cholesky decomposition: Geometry optimization and spin-state energetics of a ruthenium nitrosyl complex
2014 Mickaël G. Delcey;Leon Freitag;Thomas Bondo Pedersen;Francesco Aquilante;Roland Lindh;Leticia González
Analytical gradients of the second-order Møller-Plesset energy using Cholesky decompositions
2014 Jonas Boström;Valera Veryazov;Francesco Aquilante;Thomas Bondo Pedersen;Roland Lindh
IL RUOLO DELLA CHIMICA TEORICA NELLA FOTOFISICA E NELLA FOTOCHIMICA
2014 Angelo Giussani; Francesco Aquilante; Marco Garavelli
Analytical Gradients of Hartree–Fock Exchange with Density Fitting Approximations
2013 Jonas Boström;Francesco Aquilante;Thomas Bondo Pedersen;Roland Lindh
Attractive electron-electron interactions within robust local fitting approximations
2013 Patrick Merlot;Thomas Kjaergaard;Trygve Helgaker;Roland Lindh;Francesco Aquilante;Simen Reine;Thomas Bondo Pedersen
SplitGAS Method for Strong Correlation and the Challenging Case of Cr2
2013 Giovanni Li Manni;Dongxia Ma;Francesco Aquilante;Jeppe Olsen;Laura Gagliardi
| Titolo | Autore(i) | Anno | Periodico | Editore | Tipo | File |
|---|---|---|---|---|---|---|
| Converging many-body correlation energies by means of sequence extrapolation | Segarra-Marti, Garavelli, Aquilante | 2018-01-01 | THE JOURNAL OF CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | 646495_Converging_postprint+cop.pdf |
| Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table | Aquilante, Francesco; Autschbach, Jochen; Carlson, Rebecca K.; Chibotaru, Liviu F.; Delcey, Micka...ël G.; De Vico, Luca; Ignacio, Fdez. Galván; Ferré, Nicolas; Frutos, Luis Manuel; Gagliardi, Laura; Garavelli, Marco; Giussani, Angelo; Hoyer, Chad E.; Li Manni, Giovanni; Lischka, Hans; Ma, Dongxia; Malmqvist, Per Åke; Müller, Thomas; Nenov, Artur; Olivucci, Massimo; Pedersen, Thomas Bondo; Peng, Daoling; Plasser, Felix; Pritchard, Ben; Reiher, Markus; Rivalta, Ivan; Schapiro, Igor; Segarra-Martí, Javier; Stenrup, Michael; Truhlar, Donald G.; Ungur, Liviu; Valentini, Alessio; Vancoillie, Steven; Veryazov, Valera; Vysotskiy, Victor P.; Weingart, Oliver; Zapata, Felipe; Lindh, Roland | 2016-01-01 | JOURNAL OF COMPUTATIONAL CHEMISTRY | - | 1.01 Articolo in rivista | JCC_Molcas_post-print.pdf |
| Multiconfigurational Second-Order Perturbation Theory with Frozen Natural Orbitals Extended to the Treatment of Photochemical Problems | Segarra-Martí, Javier; Garavelli, Marco; Aquilante, Francesco | 2015-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 1.01 Articolo in rivista | - |
| A two-scale approach to electron correlation in multiconfigurational perturbation theory | Pooria Farahani;Daniel Roca-Sanjuán;Francesco Aquilante | 2014-01-01 | JOURNAL OF COMPUTATIONAL CHEMISTRY | - | 1.01 Articolo in rivista | - |
| Analytical gradients of complete active space self-consistent field energies using Cholesky decomposition: Geometry optimization and spin-state energetics of a ruthenium nitrosyl complex | Mickaël G. Delcey;Leon Freitag;Thomas Bondo Pedersen;Francesco Aquilante;Roland Lindh;Leticia Gon...zález | 2014-01-01 | THE JOURNAL OF CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | - |
| Analytical gradients of the second-order Møller-Plesset energy using Cholesky decompositions | Jonas Boström;Valera Veryazov;Francesco Aquilante;Thomas Bondo Pedersen;Roland Lindh | 2014-01-01 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | - | 1.01 Articolo in rivista | - |
| IL RUOLO DELLA CHIMICA TEORICA NELLA FOTOFISICA E NELLA FOTOCHIMICA | Angelo Giussani; Francesco Aquilante; Marco Garavelli | 2014-01-01 | LA CHIMICA E L'INDUSTRIA | - | 1.01 Articolo in rivista | - |
| Analytical Gradients of Hartree–Fock Exchange with Density Fitting Approximations | Jonas Boström;Francesco Aquilante;Thomas Bondo Pedersen;Roland Lindh | 2013-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 1.01 Articolo in rivista | - |
| Attractive electron-electron interactions within robust local fitting approximations | Patrick Merlot;Thomas Kjaergaard;Trygve Helgaker;Roland Lindh;Francesco Aquilante;Simen Reine;Tho...mas Bondo Pedersen | 2013-01-01 | JOURNAL OF COMPUTATIONAL CHEMISTRY | - | 1.01 Articolo in rivista | - |
| SplitGAS Method for Strong Correlation and the Challenging Case of Cr2 | Giovanni Li Manni;Dongxia Ma;Francesco Aquilante;Jeppe Olsen;Laura Gagliardi | 2013-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 1.01 Articolo in rivista | - |