J
Julien Bloino
Researcher at Scuola Normale Superiore di Pisa
Publications - 101
Citations - 6941
Julien Bloino is an academic researcher from Scuola Normale Superiore di Pisa. The author has contributed to research in topics: Anharmonicity & Density functional theory. The author has an hindex of 42, co-authored 92 publications receiving 6024 citations. Previous affiliations of Julien Bloino include Istituto Nazionale di Fisica Nucleare & National Research Council.
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Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg–Teller effect: The Qx band of porphyrin as a case study
TL;DR: The method presented here automatically selects the relevant vibronic contributions to the spectrum, independent of their frequency, and it is able to provide fully converged spectra with a modest computational requirement, performing for the first time an exact treatment of vibrations in harmonic approximation.
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Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution.
TL;DR: A new method is presented for the computation of vibrationally resolved optical spectra of large molecules, including the Duschinsky rotation of the normal modes, able to provide fully converged spectra with a quite modest computational time, both in vacuo and in condensed phase.
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Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems
TL;DR: It is shown that in such a way it is straightforward to combine calculation of Franck-Condon integrals with any electronic computational model.
Journal Article
Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution (vol 126, pg 084509, 2007)
TL;DR: In this article, a method for the computation of vibrationally resolved optical spectra of large molecules, including the Duschinsky [Acta Physicochim. URSS 7, 551 (1937)] rotation of the normal modes, is presented.
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Fully anharmonic IR and Raman spectra of medium-size molecular systems: accuracy and interpretation
TL;DR: This perspective sketches the recent developments in the research group toward the development of a robust and user-friendly virtual spectrometer rooted in second-order vibrational perturbation theory (VPT2) and usable also by non-specialists essentially as a black-box procedure.