Mickaël Delcey - Dissemin

All papers authored by Mickaël Delcey

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2023 Giovanni Li Manni

, Ignacio Fdez Galván

, Ali Alavi, Flavia Aleotti

, Francesco Aquilante

, Jochen Autschbach

, Davide Avagliano

, Alberto Baiardi

, Jie J. Bao

, Stefano Battaglia

, Letitia Birnoschi, Alejandro Blanco-González

, Sergey I. Bokarev

, Ria Broer

, Roberto Cacciari

and 93 other authors

The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

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This paper is made freely available by the publisher.

2022 Wojciech Błachucki

, Anna Wach

, Joanna Czapla-Masztafiak

, Mickaël Delcey

, Christopher Arrell, Rafał Fanselow

, Pavle Juranić, Marcus Lundberg

, Christopher Milne

, Jacinto Sá

, Jakub Szlachetko

Approaching the Attosecond Frontier of Dynamics in Matter with the Concept of X-ray Chronoscopy

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2020 Francesco Aquilante

, Jochen Autschbach

, Alberto Baiardi

, Stefano Battaglia

, Veniamin A. Borin

, Liviu F. Chibotaru

, Irene Conti

, Luca De Vico

, Mickaël Delcey

, Ignacio Fdez Galván

, Nicolas Ferré

, Leon Freitag

, Marco Garavelli

, Xuejun Gong

, Stefan Knecht

and 24 other authors

Modern quantum chemistry with [Open]Molcas

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2014 Rahul V. Pinjari, Mickaël G. Delcey

, Meiyuan Guo, Michael Odelius, Marcus Lundberg

Publisher's Note: “Restricted active space calculations of L-edge x-ray absorption spectra: From molecular orbits to multiplet states” [J. Chem. Phys. 141, 124116 (2014)]

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This paper is available in a repository.

Rahul V. Pinjari, Mickaël G. Delcey

, Meiyuan Guo, Michael Odelius, Marcus Lundberg

Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states

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Mickaël G. Delcey

, Leon Freitag, Thomas Bondo Pedersen, Francesco Aquilante, Roland Lindh, Leticia González

Analytical gradients of complete active space self-consistent field energies using Cholesky decomposition: Geometry optimization and spin-state energetics of a ruthenium nitrosyl complex

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Mickaël G. Delcey

, Kristine Pierloot, Quan M. Phung, Steven Vancoillie, Roland Lindh, Ulf Ryde

Accurate calculations of geometries and singlet-triplet energy differences for active-site models of [NiFe] hydrogenase

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2013 Steven Vancoillie, Mickaël G. Delcey

, Roland Lindh, Victor Vysotskiy, Per-Åke Malmqvist, Valera Veryazov

Parallelization of a multiconfigurational perturbation theory

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Mickael G. Delcey

, Roland Lindh, Roberto Linguerri, Majdi Hochlaf, Joseph S. Francisco

Communication: Theoretical prediction of the structure and spectroscopic properties of the X̃ and Ã states of hydroxymethyl peroxy (HOCH2OO) radical

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2011 Daniel Roca-Sanjuan

, Mickael G. Delcey

, Isabelle Navizet, Nicolas Ferré, Ya-Jun Liu, Roland Lindh

Chemiluminescence and Fluorescence States of a Small Model for Coelenteramide and Cypridina Oxyluciferin: A CASSCF/CASPT2 Study

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

2010 Jonas Boström, Mickaël G. Delcey

, Francesco Aquilante, Luis Serrano-Andrés, Thomas Bondo Pedersen, Roland Lindh

Calibration of Cholesky Auxiliary Basis Sets for Multiconfigurational Perturbation Theory Calculations of Excitation Energies

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All papers authored by Mickaël Delcey