Showing 41 - 60 results of 15,643 for search '(( algorithm a function ) OR ((( algorithm python function ) OR ( algorithms a function ))))', query time: 0.75s Refine Results
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    A Genetic Algorithm Approach for Compact Wave Function Representations in Spin-Adapted Bases by Maru Song (22593561)

    Published 2025
    “…<i>Quantum Anamorphosis</i> addresses this challenge through physically motivated localization of molecular orbitals and site reordering, which yield unique block-diagonal Hamiltonian matrices and compact spin-adapted many-body wave functions. In this work, we introduce a genetic algorithm to identify optimal orbital/site orderings that enhance wave function compactness, thereby enabling the study of larger systems than previously possible. …”
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    ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space by Koushik Naskar (7510592)

    Published 2020
    “…In order to overcome such shortcoming, we develop a generalized algorithm, “ADT” to generate the nonadiabatic equations through symbolic manipulation and to construct highly accurate diabatic surfaces for molecular processes involving excited electronic states. …”
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    Algorithm results based on FE simulated likelihood functions. by Nicolas Herzig (9230425)

    Published 2020
    “…<p>(A) Nodule depth estimation by the algorithm with the likelihood functions obtained by FEM simulation. …”