Veröffentlichungen Dr. Anna Engels-Putzka

Übersicht


Artikel

Theoretische Chemie

  • Dissociating N2: a multi-reference coupled cluster study on the potential energy surfaces of ground and excited states
    A. Engels-Putzka und M. Hanrath
    Molecular Physics  107,  143-155  (2009)
  • Multi-reference coupled-cluster study of the potential energy surface of the hydrogen fluoride dissociation including excited states
    A. Engels-Putzka und M. Hanrath
    Journal of Molecular Structure: THEOCHEM  902,  59-65  (2009)
  • A multi-reference coupled-cluster study on the potential energy surface of N2 including ground and excited states:
    spin projections and wavefunction overlaps

    M. Hanrath und A. Engels-Putzka
    Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) 122, 197-206  (2009)
  • An efficient matrix-matrix multiplication based antisymmetric tensor contraction engine for general order coupled cluster
    M. Hanrath und A. Engels-Putzka
    The Journal of Chemical Physics 133, 064108 (2010)

CFD – Computational Fluid Dynamics

Doktorarbeit

  • An Efficient Implementation of Second Quantization-Based Many-Body Methods for Electrons and its Application to Coupled-Cluster
    with Arbitrary Excitation Level

    A. Engels-Putzka (2010)