Publications by authors named "Luca Frediani"

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Combining the maximum overlap method with multiwavelets for core-ionisation energy calculations.
Niklas Göllmann, Matthew R Ludwig, Peter Wind, Laura E Ratcliff, Luca Frediani

Phys Chem Chem Phys· November 2025

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Wavefunction Optimization at the Complete Basis Set Limit with Multiwavelets and DMRG.
Martina Nibbi, Luca Frediani, Evgueni Dinvay, Christian B Mendl

J Phys Chem A· November 2025

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Does the time from spinal cord injury affect the sperm retrieval rate in testicular sperm extraction? A multicenter cross-sectional study.
Michele Morelli, Michele Spinelli, Paolo Geretto, Chiara Stefania Guerrer, Carmine Sciorio, Luca Frediani

Arch Ital Urol Androl· September 2025

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Noise-Tolerant Force Calculations in Density Functional Theory: A Surface Integral Approach for Wavelet-Based Methods.
Moritz Gubler, Jonas A Finkler, Stig Rune Jensen, Stefan Goedecker, Luca Frediani

J Phys Chem A· February 2025

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VAMPyR-A high-level Python library for mathematical operations in a multiwavelet representation.
Magnar Bjørgve, Christian Tantardini, Stig Rune Jensen, Gabriel A Gerez S, Peter Wind, Luca Frediani

J Chem Phys· April 2024

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Full Breit Hamiltonian in the Multiwavelets Framework.
Christian Tantardini, Roberto Di Remigio Eikås, Magnar Bjørgve, Stig Rune Jensen, Luca Frediani

J Chem Theory Comput· January 2024

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Scalar Relativistic Effects with Multiwavelets: Implementation and Benchmark.
Anders Brakestad, Stig Rune Jensen, Christian Tantardini, Quentin Pitteloud, Peter Wind, Luca Frediani

J Chem Theory Comput· January 2024

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Quantifying Intramolecular Basis Set Superposition Errors.
Quentin Pitteloud, Peter Wind, Stig Rune Jensen, Luca Frediani, Frank Jensen

J Chem Theory Comput· September 2023

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Cavity-Free Continuum Solvation: Implementation and Parametrization in a Multiwavelet Framework.
Gabriel A Gerez S, Roberto Di Remigio Eikås, Stig Rune Jensen, Magnar Bjørgve, Luca Frediani

J Chem Theory Comput· April 2023

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MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties.
Peter Wind, Magnar Bjørgve, Anders Brakestad, Gabriel A Gerez S, Stig Rune Jensen, Luca Frediani

J Chem Theory Comput· January 2023

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Multiwavelets applied to metal-ligand interactions: Energies free from basis set errors.
Anders Brakestad, Peter Wind, Stig Rune Jensen, Luca Frediani, Kathrin Helen Hopmann

J Chem Phys· June 2021

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Static Polarizabilities at the Basis Set Limit: A Benchmark of 124 Species.
Anders Brakestad, Stig Rune Jensen, Peter Wind, Marco D'Alessandro, Luigi Genovese, Luca Frediani

J Chem Theory Comput· August 2020

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Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions.
Roberto Di Remigio, Tommaso Giovannini, Matteo Ambrosetti, Chiara Cappelli, Luca Frediani

J Chem Theory Comput· July 2019

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Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models.
Carles Curutchet, Lorenzo Cupellini, Jacob Kongsted, Stefano Corni, Luca Frediani

J Chem Theory Comput· March 2018

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Combining frozen-density embedding with the conductor-like screening model using Lagrangian techniques for response properties.
Nils Schieschke, Roberto Di Remigio, Luca Frediani, Johannes Heuser, Sebastian Höfener

J Comput Chem· July 2017

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The Elephant in the Room of Density Functional Theory Calculations.
Stig Rune Jensen, Santanu Saha, José A Flores-Livas, William Huhn, Volker Blum, Luca Frediani

J Phys Chem Lett· April 2017

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Treatment of Stress Urinary Incontinence in Neurological Patients With an Injectable Elastomer Prosthesis: Preliminary Results.
Julien Renard, Marco Citeri, Lucia Zanollo, Chiara Guerrer, Luigi Rizzato, Luca Frediani

Int Neurourol J· March 2017

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Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation.
Roberto Di Remigio, Maarten T P Beerepoot, Yann Cornaton, Magnus Ringholm, Arnfinn Hykkerud Steindal, Luca Frediani

Phys Chem Chem Phys· December 2016

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Magnetic properties with multiwavelets and DFT: the complete basis set limit achieved.
Stig Rune Jensen, Tor Flå, Dan Jonsson, Rune Sørland Monstad, Kenneth Ruud, Luca Frediani

Phys Chem Chem Phys· August 2016

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A polarizable continuum model for molecules at spherical diffuse interfaces.
Roberto Di Remigio, Krzysztof Mozgawa, Hui Cao, Ville Weijo, Luca Frediani

J Chem Phys· March 2016

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Wavelet formulation of the polarizable continuum model. II. Use of piecewise bilinear boundary elements.
Monica Bugeanu, Roberto Di Remigio, Krzysztof Mozgawa, Simen Sommerfelt Reine, Helmut Harbrecht, Luca Frediani

Phys Chem Chem Phys· December 2015

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Real-space numerical grid methods in quantum chemistry.
Luca Frediani, Dage Sundholm

Phys Chem Chem Phys· December 2015

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Four-component relativistic calculations in solution with the polarizable continuum model of solvation: theory, implementation, and application to the group 16 dihydrides H2X (X = O, S, Se, Te, Po).
Roberto Di Remigio, Radovan Bast, Luca Frediani, Trond Saue

J Phys Chem A· May 2015

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The Dalton quantum chemistry program system.
Kestutis Aidas, Celestino Angeli, Keld L Bak, Vebjørn Bakken, Radovan Bast, Luca Frediani

Wiley Interdiscip Rev Comput Mol Sci· May 2014

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A polarizable embedding DFT study of one-photon absorption in fluorescent proteins.
Maarten T P Beerepoot, Arnfinn Hykkerud Steindal, Jacob Kongsted, Bjørn Olav Brandsdal, Luca Frediani

Phys Chem Chem Phys· April 2013

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