Tommaso Nottoli

10PUBLICATIONS
24CO-AUTHORS
OptimisationStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterMetal organic frameworksRadiation and matterTheoretical quantum chemistry
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Publications (10)

|Sep 28, 2026
Analytical derivatives of the linear-response CASSCF excited-state energy.

|Mar 02, 2026
A Novel Implementation of CCSD Analytic Gradients Using Cholesky Decomposition of the Two-Electron Integrals and Abelian Point-Group Symmetry.

Luca Melega, Tommaso Nottoli, Jürgen Gauss

|Oct 09, 2025
Multicomponent Synthesis on a Diiron Platform of Stable Ferrabenzenes with Promising Anticancer Activity.

Sara Benetti, Tommaso Nottoli, Zhimei Xiao

|Aug 27, 2025
An Efficient and Robust Implementation of CASSCF Linear Response Theory.

Tommaso Nottoli, Lorenzo Lapi, Riccardo Alessandro

|Sep 13, 2024
Cholesky Decomposition in Spin-Free Dirac-Coulomb Coupled-Cluster Calculations.

Tereza Uhlířová, Davide Cianchino, Tommaso Nottoli

|May 29, 2024
MBE-CASSCF Approach for the Accurate Treatment of Large Active Spaces.

Jonas Greiner, Ivan Gianni, Tommaso Nottoli

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Frequent Collaborators

9 joint publications

Filippo Lipparini

6 joint publications

Jürgen Gauss

1 joint publications

Sophia Burger

1 joint publications

Stella Stopkowicz