A Theoretical Challenge: Transition-Metal Compounds

Authors

  • Markus Reiher

DOI:

https://doi.org/10.2533/chimia.2009.140

Keywords:

Density matrix renormalization group, Relativistic quantum chemistry, Spin-spin coupling

Abstract

Quantum chemistry meets one of its greatest challenges in the field of transition-metal compounds capable of fascinating chemical transformations. Complicated electronic structure and interesting chemistry are intimately connected, and the theoretical elucidation of such molecular processes requires computational procedures that are both feasible and accurate. In this review we elaborate on our recent work in the field.

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Published

2009-03-25

How to Cite

[1]
M. Reiher, Chimia 2009, 63, 140, DOI: 10.2533/chimia.2009.140.