Morgane Vacher

Restricted-Variance Molecular Geometry Optimization Based on Gradient-Enhanced Kriging

Roland Lindh, Gerardo Raggi, Ignacio Fdez. Galván, 2020, Journal of chemical theory and computation.

OpenMolcas: From source code to insight.

Sebastian Mai, Philipp Marquetand, Donald G Truhlar, 2019, Journal of chemical theory and computation.

Efficient calculations of a large number of highly excited states for multiconfigurational wavefunctions

Marcus Lundberg, Morgane Vacher, Lasse Kragh Sørensen, 2019, J. Comput. Chem..

Direct methods for non-adiabatic dynamics: connecting the single-set variational multi-configuration Gaussian (vMCG) and Ehrenfest perspectives

Michael J. Bearpark, Michael A. Robb, Morgane Vacher, 2016, Theoretical Chemistry Accounts.

How Do Methyl Groups Enhance the Triplet Chemiexcitation Yield of Dioxetane?

Roland Lindh, Pooria Farahani, Morgane Vacher, 2017, The journal of physical chemistry letters.

Electronic control of initial nuclear dynamics adjacent to a conical intersection.

Morgane Vacher, Michael J Bearpark, Michael A Robb, 2015, The journal of physical chemistry. A.

Electron Dynamics upon Ionization of Polyatomic Molecules: Coupling to Quantum Nuclear Motion and Decoherence.

Morgane Vacher, João Pedro Malhado, Michael J Bearpark, 2017, Physical review letters.

Electron dynamics following photoionization: Decoherence due to the nuclear-wave-packet width

Michael J. Bearpark, Michael A. Robb, Lee Steinberg, 2015 .