Search Results - "Julien Roulet"
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Semiclassical Approach to Photophysics Beyond Kasha’s Rule and Vibronic Spectroscopy Beyond the Condon Approximation. The Case of Azulene
Published in Journal of chemical theory and computation (14-04-2020)“…Azulene is a prototypical molecule with an anomalous fluorescence from the second excited electronic state, thus violating Kasha’s rule, and with an emission…”
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Water status assessment in grapevines using plant electrophysiology: This article is published in cooperation with the XVth International Terroir Congress, 18-22 November 2024, Mendoza, Argentina. Guest editors: Federico Berli, Jorge Prieto and Martín Fanzone
Published in OENO one (04-11-2024)“…Traditional methods for assessing vine water status, such as the Scholander pressure chamber, are time-consuming, punctual and labour-intensive. The…”
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Water status assessment in grapevines using plant electrophysiology
Published in OENO one (01-11-2024)“…Traditional methods for assessing vine water status, such as the Scholander pressure chamber, are time-consuming, punctual and labour-intensive. The…”
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An implicit split-operator algorithm for the nonlinear time-dependent Schr\"{o}dinger equation
Published 22-09-2021“…J. Chem. Phys. 155, 204109 (2021) The explicit split-operator algorithm is often used for solving the linear and nonlinear time-dependent Schr\"{o}dinger…”
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Time-reversible and norm-conserving high-order integrators for the nonlinear time-dependent Schr\"{o}dinger equation: Application to local control theory
Published 30-06-2020“…J. Chem. Phys. 154, 154106 (2021) The explicit split-operator algorithm has been extensively used for solving not only linear but also nonlinear time-dependent…”
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Efficient geometric integrators for nonadiabatic quantum dynamics. II. The diabatic representation
Published 10-05-2019“…J. Chem. Phys. 150, 204113 (2019) Exact nonadiabatic quantum evolution preserves many geometric properties of the molecular Hilbert space. In a companion paper…”
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On-the-fly ab initio semiclassical evaluation of time-resolved electronic spectra
Published 23-11-2018“…J. Chem. Phys. 149, 244115 (2018) We present a methodology for computing vibrationally and time-resolved pump-probe spectra, which takes into account all…”
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Semiclassical Approach to Photophysics Beyond Kasha's Rule and Vibronic Spectroscopy Beyond the Condon Approximation. The Case of Azulene
Published 23-03-2020“…J. Chem. Theory and Comput. 16, 2617 (2020) Azulene is a prototypical molecule with an anomalous fluorescence from the second excited electronic state, thus…”
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Journal Article