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Dive into the research topics where Laura Grazioli is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Critical point search and linear response theory for computing electronic excitation energies of molecular systems. I. General framework, application to Hartree–Fock and DFT
Grazioli, L., Hu, Y. & Cancès, E., 14 Feb 2026, In: Journal of Chemical Physics. 164, 6, 064101.Research output: Contribution to journal › Article › peer-review
Open Access -
Unitary Coupled-Cluster Theory for the Treatment of Molecules in Strong Magnetic Fields
Grazioli, L., Kitsaras, M. P. & Stopkowicz, S., 23 Dec 2025, In: Journal of Chemical Theory and Computation. 21, 24, p. 12634-12651 18 p.Research output: Contribution to journal › Article › peer-review
Open Access -
Erratum: Publisher's Note: "The approximate coupled-cluster methods CC2 and CC3 in a finite magnetic field" [J. Chem. Phys. 160, 094112 (2024) (The Journal of chemical physics (2024) 160 9 PII: 079901 DOI: 10.1063/5.0189350)
Kitsaras, M. P., Grazioli, L. & Stopkowicz, S., 21 Aug 2024, In: Journal of Chemical Physics. 161, 7Research output: Contribution to journal › Comment/debate
Open Access -
The approximate coupled-cluster methods CC2 and CC3 in a finite magnetic field
Kitsaras, M. P., Grazioli, L. & Stopkowicz, S., 7 Mar 2024, In: Journal of Chemical Physics. 160, 9, 094112.Research output: Contribution to journal › Article › peer-review
Open Access -
Theoretical prediction of closed-shell paramagnetism for scandium and yttrium hydride
Grazioli, L., Schleicher, L. T., Stopkowicz, S. & Gauss, J., 5 Jun 2024, In: Journal of Computational Chemistry. 45, 15, p. 1215-1223 9 p.Research output: Contribution to journal › Article › peer-review
Open Access -
Strong Coupling in Chiral Cavities: Nonperturbative Framework for Enantiomer Discrimination
Riso, R. R., Grazioli, L., Ronca, E., Giovannini, T. & Koch, H., 1 Jul 2023, In: Physical Review X. 13, 3, 031002.Research output: Contribution to journal › Article › peer-review
Open Access -
Calculation of IR Spectra with a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles
Giovannini, T., Grazioli, L., Ambrosetti, M. & Cappelli, C., 8 Oct 2019, In: Journal of Chemical Theory and Computation. 15, 10, p. 5495-5507 13 p.Research output: Contribution to journal › Article › peer-review
Open Access