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Simon D Smart

Showing results (1-10 of 5) with videos related to

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The Journal of Chemical Physics|September 8, 2019
Efficient formulation of full configuration interaction quantum Monte Carlo in a spin eigenbasis via the graphical unitary group approachWerner Dobrautz, Simon D Smart, Ali Alavi
Journal of Chemical Theory and Computation|January 26, 2016
Combining the Complete Active Space Self-Consistent Field Method and the Full Configuration Interaction Quantum Monte Carlo within a Super-CI Framework, with Application to Challenging Metal-PorphyrinsGiovanni Li Manni, Simon D Smart, Ali Alavi
The Journal of Chemical Physics|October 10, 2015
An excited-state approach within full configuration interaction quantum Monte CarloN S Blunt, Simon D Smart, George H Booth, et al.
The Journal of Chemical Physics|May 17, 2015
Semi-stochastic full configuration interaction quantum Monte Carlo: Developments and applicationN S Blunt, Simon D Smart, J A F Kersten, et al.
The Journal of Chemical Physics|July 28, 2020
NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methodsKai Guther, Robert J Anderson, Nick S Blunt, et al.
Pageof 1

Showing results (1-10 of 5) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|September 8, 2019
Efficient formulation of full configuration interaction quantum Monte Carlo in a spin eigenbasis via the graphical unitary group approachWerner Dobrautz, Simon D Smart, Ali Alavi
Journal of Chemical Theory and Computation|January 26, 2016
Combining the Complete Active Space Self-Consistent Field Method and the Full Configuration Interaction Quantum Monte Carlo within a Super-CI Framework, with Application to Challenging Metal-PorphyrinsGiovanni Li Manni, Simon D Smart, Ali Alavi
The Journal of Chemical Physics|October 10, 2015
An excited-state approach within full configuration interaction quantum Monte CarloN S Blunt, Simon D Smart, George H Booth, et al.
The Journal of Chemical Physics|May 17, 2015
Semi-stochastic full configuration interaction quantum Monte Carlo: Developments and applicationN S Blunt, Simon D Smart, J A F Kersten, et al.
The Journal of Chemical Physics|July 28, 2020
NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methodsKai Guther, Robert J Anderson, Nick S Blunt, et al.
Pageof 1