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The Journal of Chemical Physics
|
December 15, 2020
The adaptive shift method in full configuration interaction quantum Monte Carlo: Development and applications
Khaldoon Ghanem, Kai Guther, Ali Alavi
Physical Review Letters
|
August 18, 2018
Time Propagation and Spectroscopy of Fermionic Systems Using a Stochastic Technique
Kai Guther, Werner Dobrautz, Olle Gunnarsson, et al.
The Journal of Chemical Physics
|
July 9, 2021
Binding curve of the beryllium dimer using similarity-transformed FCIQMC: Spectroscopic accuracy with triple-zeta basis sets
Kai Guther, Aron J Cohen, Hongjun Luo, et al.
Journal of Chemical Theory and Computation
|
December 13, 2021
Stochastic Generalized Active Space Self-Consistent Field: Theory and Application
Oskar Weser, Kai Guther, Khaldoon Ghanem, et al.
The Journal of Physical Chemistry. A
|
May 28, 2021
Resolution of Low-Energy States in Spin-Exchange Transition-Metal Clusters: Case Study of Singlet States in [Fe(III)<sub>4</sub>S<sub>4</sub>] Cubanes
Giovanni Li Manni, Werner Dobrautz, Nikolay A Bogdanov, et al.
The Journal of Chemical Physics
|
July 28, 2020
NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods
Kai Guther, Robert J Anderson, Nick S Blunt, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
December 15, 2020
The adaptive shift method in full configuration interaction quantum Monte Carlo: Development and applications
Khaldoon Ghanem, Kai Guther, Ali Alavi
Physical Review Letters
|
August 18, 2018
Time Propagation and Spectroscopy of Fermionic Systems Using a Stochastic Technique
Kai Guther, Werner Dobrautz, Olle Gunnarsson, et al.
The Journal of Chemical Physics
|
July 9, 2021
Binding curve of the beryllium dimer using similarity-transformed FCIQMC: Spectroscopic accuracy with triple-zeta basis sets
Kai Guther, Aron J Cohen, Hongjun Luo, et al.
Journal of Chemical Theory and Computation
|
December 13, 2021
Stochastic Generalized Active Space Self-Consistent Field: Theory and Application
Oskar Weser, Kai Guther, Khaldoon Ghanem, et al.
The Journal of Physical Chemistry. A
|
May 28, 2021
Resolution of Low-Energy States in Spin-Exchange Transition-Metal Clusters: Case Study of Singlet States in [Fe(III)<sub>4</sub>S<sub>4</sub>] Cubanes
Giovanni Li Manni, Werner Dobrautz, Nikolay A Bogdanov, et al.
The Journal of Chemical Physics
|
July 28, 2020
NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods
Kai Guther, Robert J Anderson, Nick S Blunt, et al.
Page
of 1