Classification of electronic structures and state preparation for quantum computation of reaction chemistry

Maximilian Mörchen, Guang Hao Low, Thomas Weymuth, Hongbin Liu, Matthias Troyer, Markus Reiher
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Multiscale Embedding for Quantum Computing

Leah P. Weisburn, Minsik Cho, Moritz Bensberg, Oinam Romesh Meitei, Markus Reiher, Troy Van Voorhis
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NEAR: A Training-Free Pre-Estimator of Machine Learning Model Performance

Raphael T. Husistein, Markus Reiher, Marco Eckhoff
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Non-iterative triples for transcorrelated coupled cluster

Maximilian Mörchen, Alberto Baiardi, Michał Lesiuk, Markus Reiher
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High ground state overlap via quantum embedding methods

Mihael Erakovic, Freek Witteveen, Dylan Harley, Jakob Günther, Moritz Bensberg, Oinam Romesh Meitei, Minsik Cho, Troy Van Voorhis, Markus Reiher, Matthias Christandl
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Heron: Visualizing and Controlling Chemical Reaction Explorations and Networks

Charlotte H. Müller, Miguel Steiner, Jan P. Unsleber, Thomas Weymuth, Moritz Bensberg, Katja-Sophia Csizi, Maximilian Mörchen, Paul L. Türtscher, Markus Reiher
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Renormalized Internally-Contracted Multireference Coupled Cluster with Perturbative Triples

Robin Feldmann, Markus Reiher
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Vibrational Entanglement through the Lens of Quantum Information Measures

Nina Glaser, Alberto Baiardi, Annina Z. Lieberherr, Markus Reiher
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Striking the Right Balance of Encoding Electron Correlation in the Hamiltonian and the Wavefunction Ansatz

Kalman Szenes, Maximilian Mörchen, Paul Fischill, Markus Reiher
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Complete Active Space Iterative Coupled Cluster Theory

Robin Feldmann, Max Mörchen, Jakub Lang, Michał Lesiuk, Markus Reiher
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