Efficient formulation of full configuration interaction quantum Monte Carlo in a spin eigenbasis via the graphical unitary group approach-Reference-Cited by-同舟云学术

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Efficient formulation of full configuration interaction quantum Monte Carlo in a spin eigenbasis via the graphical unitary group approach

Published:2019-09-07 Issue:9 Volume:151 Page:094104
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Dobrautz Werner¹^ORCID,Smart Simon D.²^ORCID,Alavi Ali¹³^ORCID

Affiliation:

1. Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart, Germany

2. European Centre for Medium-Range Weather Forecasts, Shinfield Rd., Reading RG2 9AX, United Kingdom

3. Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5108908

Reference116 articles.

1. Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space

2. Communications: Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo

3. Half-Projected and Projected Hartree-Fock Calculations for Singlet Ground States. i. four-Electron Atomic Systems

4. Molecular Electronic-Structure Theory

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