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Development of Efficient and Accurate Approximations to Single Reference Correlation Methods using Pair Natural Orbitals
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Hansen, Andreas
Published 2012
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Internally Contracted Multireference Coupled-Cluster Theories With Automated Code Generation
by
Lechner, Marvin Harald
Published in
Molecular Physics
(2023)
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Doctoral or Postdoctoral Thesis
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Hansen, Andreas
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Lechner, Marvin Harald
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Quantenchemie
ddc:540
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Angeregte Zustände
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Automatic Code Generation
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Automatische Codegenerierung
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Coupled-Cluster
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DLPNO
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Elektronenkorrelation
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Multireference Methods
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Quantum Chemistry
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Reaktionsenergien
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STEOM
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Störungstheorie
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coupled cluster
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coupled pair
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lokale Näherung
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natürliche Orbitale
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offenschalige Moleküle
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bonndoc - The Repository of the University of Bonn
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