Publications by authors named "Edward Ditler"

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Vibrational circular dichroism spectra of natural products by means of the nuclear velocity perturbation theory.
Edward Ditler, Chandan Kumar, Sandra Luber

Spectrochim Acta A Mol Biomol Spectrosc· October 2023

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The position operator problem in periodic calculations with an emphasis on theoretical spectroscopy.
Edward Ditler, Johann Mattiat, Sandra Luber

Phys Chem Chem Phys· May 2023

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Implementation of Nuclear Velocity Perturbation and Magnetic Field Perturbation Theory in CP2K and Their Application to Vibrational Circular Dichroism.
Edward Ditler, Tomáš Zimmermann, Chandan Kumar, Sandra Luber

J Chem Theory Comput· April 2022

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Analytic calculation and analysis of atomic polar tensors for molecules and materials using the Gaussian and plane waves approach.
Edward Ditler, Chandan Kumar, Sandra Luber

J Chem Phys· March 2021

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Massive Dirac Fermion Behavior in a Low Bandgap Graphene Nanoribbon Near a Topological Phase Boundary.
Qiang Sun, Oliver Gröning, Jan Overbeck, Oliver Braun, Mickael L Perrin, Edward Ditler

Adv Mater· March 2020

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