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4 results for “approximation theory”
Data from ``Developments in Stochastic Coupled Cluster Theory: The initiator approximation and application to the Uniform Electron Gas''
<p>We describe further details of the Stochastic Coupled Cluster method and a diagnostic of such calculations, the shoulder height, akin to the plateau found in Full Configuration Interaction Quantum Monte Carlo. We describe an initiator modification to Stochastic Coupled Cluster Theory and show that initiator calculations can be extrapolated to the unbiased limit. We apply this method to the 3D 14-electron uniform electron gas and present complete basis set limit values of the CCSD and previously unattainable CCSDT correlation energies for up to $r_s=2$, showing a requirement to include triple excitations to accurately calculate energies at high densities.</p>
Beyond the mean-field approximation for pair correlations in classical density functional theory: reference inhomogeneous non-associating monomeric fluids for use with SAFT-VR Mie DFT. JCP 2024
<p>All DFT calculations and molecular simulation data in the publication.</p>
Dataset for Sparse Hashing for Scalable Approximate Model Counting: Theory and Practice
<p>The dataset consists of</p> <p>(1) Benchmark files<br> (2) the logfile (outputs) generated by ApproxMC4 and ApproxMC5 respectively</p> <p>(3) A summary of the results for the files where at least one of ApproxMC4 or ApproxMC5 did not time out and took more than 1 second. </p> <p>The corresponding paper titled "Scalable Approximate Model Counting via Concentrated Hashing]{Sparse Hashing for Scalable Approximate Model Counting: Theory and Practice" will appear in the Proceedings of Logic in Computer science(LICS), 2020.</p>
Additional Data from ``Developments in Stochastic Coupled Cluster Theory: The initiator approximation and application to the Uniform Electron Gas''
<p>We describe further details of the Stochastic Coupled Cluster method and a diagnostic of such calculations, the shoulder height, akin to the plateau found in Full Configuration Interaction Quantum Monte Carlo. We describe an initiator modification to Stochastic Coupled Cluster Theory and show that initiator calculations can be extrapolated to the unbiased limit. We apply this method to the 3D 14-electron uniform electron gas and present complete basis set limit values of the CCSD and previously unattainable CCSDT correlation energies for up to $r_s=2$, showing a requirement to include triple excitations to accurately calculate energies at high densities.</p>
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