Publications by authors named "Simon D Smart"

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NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods.
Kai Guther, Robert J Anderson, Nick S Blunt, Nikolay A Bogdanov, Deidre Cleland, Simon D Smart

J Chem Phys· July 2020

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Efficient formulation of full configuration interaction quantum Monte Carlo in a spin eigenbasis via the graphical unitary group approach.
Werner Dobrautz, Simon D Smart, Ali Alavi

J Chem Phys· September 2019

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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-Porphyrins.
Giovanni Li Manni, Simon D Smart, Ali Alavi

J Chem Theory Comput· March 2016

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An excited-state approach within full configuration interaction quantum Monte Carlo.
N S Blunt, Simon D Smart, George H Booth, Ali Alavi

J Chem Phys· October 2015

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Semi-stochastic full configuration interaction quantum Monte Carlo: Developments and application.
N S Blunt, Simon D Smart, J A F Kersten, J S Spencer, George H Booth

J Chem Phys· May 2015

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