1. Construction of CASCI-type wave functions for very large active spaces

Boguslawski, Katharina, Marti, Konrad H. and Reiher, Markus (2011)

Journal Items

2. Exact decoupling of the relativistic Fock operator

Peng, Daoling and Reiher, Markus (2012)

Journal Items

3. Extracting elements of molecular structure from the all-particle wave function

Mátyus, Edith, Hutter, Jürg, Müller-Herold, Ulrich and Reiher, Markus (2011)

Journal Items

4. Optimized unrestricted Kohn–Sham potentials from ab initio spin densities

Boguslawski, Katharina, Jacob, Christoph R. and Reiher, Markus (2013)

Journal Items

5. Response to “Comment on ‘Accurate frozen-density embedding potentials as a first step towards a subsystem description of covalent bonds’”

Fux, Samuel, Jacob, Christoph R., Neugebauer, Johannes, Visscher, Lucas and Reiher, Markus (2011)

Journal Items

6. Von der Natur lernen: Theorie der Stickstoff-Fixierung unter milden Bedingungen

Reiher, Markus (2006)

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