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Valentin Barandun

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Articles

n-Mode Quantized Anharmonic Vibronic Hamiltonians for Matrix Product State Dynamics

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By Valentin Barandun, Nina K. Glaser, Markus Reiher
| dx.doi.org
Introduction Click to copy section linkSection link copied! Spectroscopy of vibrationally resolved electronic transitions is a powerful instrument for probing the structure, dynamics, and properties of molecular systems. (1−3) Their interpretation necessitates reliable theoretical approaches capable of elucidating and predicting spectral features.
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QCMaquis 4.0: Multipurpose Electronic, Vibrational, and Vibronic Structure and Dynamics Calculations with the Density Matrix Renormalization Group

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By Kalman Szenes, Nina K. Glaser, Mihael Eraković, Valentin Barandun
| dx.doi.org
Special Issue Published as part of The Journal of Physical Chemistry A special issue “Quantum Chemistry Software for Molecules and Materials”. 1. Introduction Click to copy section linkSection link copied! Among the broad range of quantum chemical methods established in the past decades, tensor network algorithms have emerged as a particularly promising group of high-accuracy approaches for efficiently treating strongly correlated quantum systems.
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