Leon Freitag

University of Vienna — Austria

Physics and Astronomy · Physical Sciences

16h-index2.4kcitations44works0.02yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(14), Advanced Chemical Physics Studies(13), Crystallization and Solubility Studies(11), X-ray Diffraction in Crystallography(11), Photochemistry and Electron Transfer Studies(6)

Publications44 total

Simplified State Interaction for Matrix Product State Wave Functions
Journal of Chemical Theory and Computation·2021· 7 citedOpen Access
A Density Matrix Renormalization Group Study of the Low‐Lying Excited States of a Molybdenum Carbonyl‐Nitrosyl Complex
ChemPhysChem·2021· 2 citedOpen Access
A Simplified State Interaction for Matrix Product State Wave Functions
2021Open Access
A Simplified State Interaction for Matrix Product State Wave Functions
2021Open Access
The Role of Triplet States in the Photodissociation of a Platinum Azide Complex by a Density Matrix Renormalization Group Method
The Journal of Physical Chemistry Letters·2021· 12 citedOpen Access
Tailored coupled cluster theory in varying correlation regimes
The Journal of Chemical Physics·2020· 32 citedOpen Access
The Density Matrix Renormalization Group for Strong Correlation in Ground and Excited States
2020· 29 cited
Chemical insights into the electronic structure of Fe( <scp>II</scp> ) porphyrin using <scp>FCIQMC</scp> , <scp>DMRG</scp> , and generalized active spaces
International Journal of Quantum Chemistry·2020· 37 citedOpen Access
Chemical insights into the electronic structure of Fe(II) porphyrin using FCIQMC, DMRG, and generalized active spaces
2020Open Access
Modern quantum chemistry with [Open]Molcas
The Journal of Chemical Physics·2020· 483 citedOpen Access
Chemical insights into the electronic structure of Fe(II) porphyrin using FCIQMC, DMRG, and generalized active spaces
2020· 9 citedOpen Access
Chemical insights into the electronic structure of Fe(II) porphyrin using FCIQMC, DMRG, and generalized active spaces
2020· 1 citedOpen Access
Approximate Analytical Gradients and Nonadiabatic Couplings for the State-Average Density Matrix Renormalization Group Self-Consistent-Field Method
Journal of Chemical Theory and Computation·2019· 26 citedOpen Access
OpenMolcas: From Source Code to Insight
Journal of Chemical Theory and Computation·2019· 1.1k citedOpen Access
OpenMolcas: From Source Code to Insight
2019· 2 citedOpen Access
OpenMolcas: From Source Code to Insight
2019· 6 citedOpen Access
OpenMolcas: From Source Code to Insight
2019· 1 citedOpen Access
Correction to Calculation of Ligand Dissociation Energies in Large Transition-Metal Complexes
Journal of Chemical Theory and Computation·2019· 6 cited
Shedding Light on the Nature of Photoinduced States Formed in a Hydrogen-Generating Supramolecular RuPt Photocatalyst by Ultrafast Spectroscopy
The Journal of Physical Chemistry A·2018· 9 citedOpen Access
Calculation of Ligand Dissociation Energies in Large Transition-Metal Complexes
Journal of Chemical Theory and Computation·2018· 80 citedOpen Access
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Frequent Co-authors

Leticia González(30), Markus Reiher(14), Ghénadie Novitchi(13), Paul‐Steffen Kuhn(13), Vladimir B. Arion(13), Stefan Knecht(12), Ali Alavi(8), Mickaël G. Delcey(8), Giovanni Li Manni(8), Oskar Weser(8), Roland Lindh(8), Samuel M. Meier(8), Katarina Jovanović(8), Isolde Sandler(8), Siniša Radulović(8), Francesco Aquilante(7), Sebastian Keller(6), Christopher J. Stein(6), Ignacio Fdez. Galván(5), Morgane Vacher(5)