How to Construct Diabatic States for Energy and Charge Transfer with Subsystem Quantum Chemistry─A Tutorial
Rikus A; Käfer S; Lampe L; Mück-Lichtenfeld C; Tölle J; Neugebauer J
Research article (journal) | Peer reviewedAbstract
Details about the publication
Journal: Journal of Physical Chemistry A
Volume: 129
Page range: 7238-7250
Status: Published
Release year: 2025
Language in which the publication is written: English
Keywords: Quantum Chemical Calculations; Embedding
Authors from the University of Münster
| Mück-Lichtenfeld, Christian | Professur für Theoretische Organische Chemie (Prof. Neugebauer) |