Publications by authors named "Markus Oppel"

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COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin-Orbit Couplings and Dynamics.
Felix Plasser, Hans Lischka, Ron Shepard, Péter G Szalay, Russell M Pitzer, Markus Oppel

J Phys Chem A· July 2025

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SHARC meets TEQUILA: mixed quantum-classical dynamics on a quantum computer using a hybrid quantum-classical algorithm.
Eduarda Sangiogo Gil, Markus Oppel, Jakob S Kottmann, Leticia González

Chem Sci· January 2025

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The OpenMolcas : A Community-Driven Approach to Advancing Computational Chemistry.
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, Flavia Aleotti, Francesco Aquilante, Markus Oppel

J Chem Theory Comput· October 2023

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A Density Matrix Renormalization Group Study of the Low-Lying Excited States of a Molybdenum Carbonyl-Nitrosyl Complex.
Leon Freitag, Leopold Lindenbauer, Markus Oppel, Leticia González

Chemphyschem· November 2021

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The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry.
Hans Lischka, Ron Shepard, Thomas Müller, Péter G Szalay, Russell M Pitzer, Markus Oppel

J Chem Phys· April 2020

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OpenMolcas: From Source Code to Insight.
Ignacio Fdez Galván, Morgane Vacher, Ali Alavi, Celestino Angeli, Francesco Aquilante, Markus Oppel

J Chem Theory Comput· November 2019

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Controlling the Excited-State Dynamics of Nuclear Spin Isomers Using the Dynamic Stark Effect.
Maria Waldl, Markus Oppel, Leticia González

J Phys Chem A· July 2016

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Efficient and Flexible Computation of Many-Electron Wave Function Overlaps.
Felix Plasser, Matthias Ruckenbauer, Sebastian Mai, Markus Oppel, Philipp Marquetand

J Chem Theory Comput· March 2016

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Enhancing intersystem crossing in phenotiazinium dyes by intercalation into DNA.
Juan J Nogueira, Markus Oppel, Leticia González

Angew Chem Int Ed Engl· March 2015

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Discrimination of nuclear spin isomers exploiting the excited state dynamics of a quinodimethane derivative.
Rana Obaid, Daniel Kinzel, Markus Oppel, Leticia González

J Chem Phys· October 2014

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Theory of ultrafast nonresonant multiphoton transitions in polyatomic molecules: basics and application to optimal control theory.
Volkhard May, David Ambrosek, Markus Oppel, Leticia González

J Chem Phys· October 2007

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