J
Jean Christophe Tremblay
Researcher at University of Lorraine
Publications - 95
Citations - 1554
Jean Christophe Tremblay is an academic researcher from University of Lorraine. The author has contributed to research in topics: Density functional theory & Excited state. The author has an hindex of 21, co-authored 86 publications receiving 1187 citations. Previous affiliations of Jean Christophe Tremblay include University of Potsdam & Université de Montréal.
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Calculating vibrational energies and wave functions of vinylidene using a contracted basis with a locally reorthogonalized coupled two-term Lanczos eigensolver.
TL;DR: A contracted basis+Lanczos eigensolver approach is used to compute vinylidene-like vibrational states of the acetylene-vinylidene system to overcome problems caused by loss of orthogonality of the Lanczos vectors.
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ORBKIT: A modular python toolbox for cross-platform postprocessing of quantum chemical wavefunction data.
Gunter Hermann,Vincent Pohl,Jean Christophe Tremblay,Beate Paulus,Hans-Christian Hege,Axel Schild +5 more
TL;DR: An overview of ORBKIT is provided with particular focus on its capabilities and applicability, and includes several example calculations.
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Calculation of zero-field splitting parameters: Comparison of a two-component noncolinear spin-density-functional method and a one-component perturbational approach
Roman Reviakine,Alexei V. Arbuznikov,Jean Christophe Tremblay,Christian Remenyi,Olga L. Malkina,Vladimir G. Malkin,Martin Kaupp +6 more
TL;DR: Two different sets of approaches for the density-functional calculation of the spin-orbit contributions to zero-field splitting (ZFS) parameters of high-spin systems have been implemented within the same quantum chemistry code ReSpect and have been validated and compared for a series of model systems.
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ORBKIT - A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum Chemical Wavefunction Data
Gunter Hermann,Vincent Pohl,Jean Christophe Tremblay,Beate Paulus,Hans-Christian Hege,Axel Schild +5 more
TL;DR: ORBKIT as discussed by the authors is a toolbox for post-processing electronic structure calculations based on a highly modular and portable Python architecture, which allows computing a multitude of electronic properties of molecular systems on arbitrary spatial grids from the basis set representation of its electronic wavefunction.
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Time-dependent configuration-interaction calculations of laser-driven dynamics in presence of dissipation.
TL;DR: Simulations of laser-pulse driven excitations of selected electronic states of LiCN in the presence of energy and phase relaxation show that despite the loss of efficiency, selective dipole switching can still be achieved in the absence of dissipation when using appropriately designed laser pulses.