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art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos
Open Access logo, converted into svg, designed by PLoS. This version with transparent background.
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art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos
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art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos
Open Access logo, converted into svg, designed by PLoS. This version with transparent background.
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art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos
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art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos
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NECI_STABLE software on GitHub
NECI_STABLE software on GitHub in support of 'Density matrices in full configuration interaction quantum Monte Carlo: Excited states, transition dipole moments and parallel distribution'
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NECI_STABLE software on GitHub
Summary
Related research
(17)
Abstract
Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.
17
Research products, page
1
of
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Data Management Plans: the Importance of Data Management in the BIG‐MAP Project**
2021
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An efficient and accurate perturbative correction to initiator full configuration interaction quantum Monte Carlo
2018
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Exploiting locality in FCIQMC for fast excitation generation
2023
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Preconditioning and Perturbative Estimators in Full Configuration Interaction Quantum Monte Carlo
2019
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Density matrices in full configuration interaction quantum Monte Carlo: Excited states, transition dipole moments, and parallel distribution
2017
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Enhancement of superexchange due to synergetic breathing and hopping in corner-sharing cuprates
2021
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Efficient formulation of full configuration interaction quantum Monte Carlo in a spin eigenbasis via the graphical unitary group approach
2019
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Efficient and stochastic multireference perturbation theory for large active spaces within a full configuration interaction quantum Monte Carlo framework
2020
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A hybrid approach to extending selected configuration interaction and full configuration interaction quantum Monte Carlo
2019
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Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron–Sulfur Clusters
2021
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