Werner Dobrautz

Post Doc, Kemi och kemiteknik, Kemi och biokemi, Martin Rahms grupp

För mer information, se den engelska sidan.

Efficient Formulation of Full Configuration Interaction Quantum Monte Carlo in a Spin Eigenbasis via the Graphical Unitary Group Approach, W. Dobrautz, S. D. Smart, A. Alavi, J. Chem. Phys. 151, 094104


Compact numerical solutions to the two-dimensional repulsive Hubbard model obtained via nonuni- tary similarity transformations, W. Dobrautz, H. Luo, and A. Alavi, Phys. Rev. B 99, 075119


Spin-pure Stochastic-CASSCF via GUGA-FCIQMC applied to Iron Sulfur Clusters, W. Dobrautz, O Weser, N. Bogdanov, A. Alavi, G. Li Manni, J. Chem. Theory Comput. 17, 9, 5684

 

 

 

Sidansvarig Publicerad: ti 28 jun 2022.