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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
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941
A Scalable Route to First-Order Response Properties with Correlated Sampling Phaseless Auxiliary-Field Quantum Monte Carlo
Published 2025“…To make useful connections with experimental measurements, correlated electronic structure theories must accurately predict chemical properties in addition to energies. We present a finite-difference based algorithm to compute first-order response properties with phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) that relies on a branching correlated sampling approach. …”
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Flowchart and pseudocode of the CHBA.
Published 2024“…The solutions are expressed in terms of the Lambert W function and solved using a special transcendental function approach called Special Trans Function Theory (STFT). …”
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Wilcoxon test comparisons.
Published 2024“…The solutions are expressed in terms of the Lambert W function and solved using a special transcendental function approach called Special Trans Function Theory (STFT). …”
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951
Proposed DDMR<sub>i</sub> solar cell equivalent circuit.
Published 2024“…The solutions are expressed in terms of the Lambert W function and solved using a special transcendental function approach called Special Trans Function Theory (STFT). …”
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952
Standard PV<sub>DDM</sub> equivalent circuit.
Published 2024“…The solutions are expressed in terms of the Lambert W function and solved using a special transcendental function approach called Special Trans Function Theory (STFT). …”
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Experiment 1a: Setting the default value for t in FastEnsemble.
Published 2025“…Left: Accuracy as a function of the model mixing parameter (x-axis). …”
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960