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Publications

A Nonorthogonal Configuration Interaction Approach to Singlet Fission in Perylenediimide Compounds

Comparison of Computational Strategies for the Calculation of the Electronic Coupling in Intermolecular Energy and Electron Transport Processes

The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

GronOR: Scalable and Accelerated Nonorthogonal Configuration Interaction for Molecular Fragment Wave Functions

Memorial Viewpoint for Joop van Lenthe

On the role of dynamic electron correlation in non-orthogonal configuration interaction with fragments

Strategies for Enhancing the Dielectric Constant of Organic Materials

Q-Force: Quantum Mechanically Augmented Molecular Force Fields

GronOR: Massively parallel and GPU-accelerated non-orthogonal configuration interaction for large molecular systems

How Ethylene Glycol Chains Enhance the Dielectric Constant of Organic Semiconductors: Molecular Origin and Frequency Dependence

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