Real‐time quantum chemistry

  title={Real‐time quantum chemistry},
  author={Moritz P. Haag and M. Reiher},
  journal={International Journal of Quantum Chemistry},
Significant progress in the development of efficient and fast algorithms for quantum chemical calculations has been made in the past two decades. The main focus has always been the desire to be able to treat ever larger molecules or molecular assemblies—especially linear and sublinear scaling techniques are devoted to the accomplishment of this goal. However, as many chemical reactions are rather local, they usually involve only a limited number of atoms so that models of about 200 (or even… Expand

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