Luppi E - Search Results

1

Optimal Basis Set for Electron Dynamics in Strong Laser Fields: The case of Molecular Ion H₂.

Labeye M, Zapata F, Coccia E, Véniard V, Toulouse J, Caillat J, Taïeb R, Luppi E. Labeye M, et al. Among authors: luppi e. J Chem Theory Comput. 2018 Nov 13;14(11):5846-5858. doi: 10.1021/acs.jctc.8b00656. Epub 2018 Oct 15. J Chem Theory Comput. 2018. PMID: 30247900 Free PMC article.

2

Communications: Ab initio second-order nonlinear optics in solids.

Luppi E, Hübener H, Véniard V. Luppi E, et al. J Chem Phys. 2010 Jun 28;132(24):241104. doi: 10.1063/1.3457671. J Chem Phys. 2010. PMID: 20590173

3

Defects and strain enhancements of second-harmonic generation in Si/Ge superlattices.

Bertocchi M, Luppi E, Degoli E, Véniard V, Ossicini S. Bertocchi M, et al. Among authors: luppi e. J Chem Phys. 2014 Jun 7;140(21):214705. doi: 10.1063/1.4880756. J Chem Phys. 2014. PMID: 24908033

4

Basis convergence of range-separated density-functional theory.

Franck O, Mussard B, Luppi E, Toulouse J. Franck O, et al. Among authors: luppi e. J Chem Phys. 2015 Feb 21;142(7):074107. doi: 10.1063/1.4907920. J Chem Phys. 2015. PMID: 25702002

5

Self-consistent double-hybrid density-functional theory using the optimized-effective-potential method.

Śmiga S, Franck O, Mussard B, Buksztel A, Grabowski I, Luppi E, Toulouse J. Śmiga S, et al. Among authors: luppi e. J Chem Phys. 2016 Oct 14;145(14):144102. doi: 10.1063/1.4964319. J Chem Phys. 2016. PMID: 27782500

6

Ab initio lifetime correction to scattering states for time-dependent electronic-structure calculations with incomplete basis sets.

Coccia E, Assaraf R, Luppi E, Toulouse J. Coccia E, et al. Among authors: luppi e. J Chem Phys. 2017 Jul 7;147(1):014106. doi: 10.1063/1.4991563. J Chem Phys. 2017. PMID: 28688444

7

Linear-response range-separated density-functional theory for atomic photoexcitation and photoionization spectra.

Zapata F, Luppi E, Toulouse J. Zapata F, et al. Among authors: luppi e. J Chem Phys. 2019 Jun 21;150(23):234104. doi: 10.1063/1.5096037. J Chem Phys. 2019. PMID: 31228907

8

Long-range corrected exchange-correlation kernels to describe excitons in second-harmonic generation.

Gauriot N, Véniard V, Luppi E. Gauriot N, et al. Among authors: luppi e. J Chem Phys. 2019 Dec 21;151(23):234111. doi: 10.1063/1.5126501. J Chem Phys. 2019. PMID: 31864278

9

Probing the molecular frame of uracil and thymine with high-harmonic generation spectroscopy.

Luppi E, Coccia E. Luppi E, et al. Phys Chem Chem Phys. 2021 Feb 19;23(6):3729-3738. doi: 10.1039/d0cp05559j. Phys Chem Chem Phys. 2021. PMID: 33395454

10

Role of exchange and correlation in high-harmonic generation spectra of H₂, N₂, and CO₂: Real-time time-dependent electronic-structure approaches.

Pauletti CF, Coccia E, Luppi E. Pauletti CF, et al. Among authors: luppi e. J Chem Phys. 2021 Jan 7;154(1):014101. doi: 10.1063/5.0033072. J Chem Phys. 2021. PMID: 33412879

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