Theoretische Chemie 2010

Auer, Alexander A.; Kästner, Johannes; Burghardt, Irène

doi:10.1002/nadc.201176379

Nachr Chem

2011

DOI: 10.1002/nadc.201176379

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Theoretische Chemie 2010

Alexander A. Auer

Johannes Kästner²,

Irène Burghardt³

Abstract: Tensorzerlegungen haben ein enormes Potenzial für effizientere Näherungen in der Quantenchemie. Bei QM/MM‐Ansätzen liegen heute die Herausforderungen darin, die vielen Freiheitsgrade realistisch zu behandeln. In der Quantendynamik werden angesichts der wachsenden Komplexität der untersuchten Systeme universell anwendbare Verfahren seltener.

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Theoretische Chemie 2010

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