Jul 3, 2021 · Abstract:The convergence property of a stochastic algorithm for the self-consistent field (SCF) calculations of electron structures is ...
Feb 28, 2023 · The convergence property of a stochastic algorithm for the self- consistent field (SCF) calculations of electron structures is studied. The al-.
Oct 22, 2024 · The convergence property of a stochastic algorithm for the self-consistent calculations (SCC) of electron structures is studied.
Stochastic algorithms for self-consistent calculations ... - OUCI
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The convergence property of a stochastic algorithm for the self-consistent field (SCF) calculations of electron structures is studied.
Ko, Taehee, Li, Xiantao (2023) Stochastic algorithms for self-consistent calculations of electronic structures. Mathematics of Computation, 92 (342) 1693-1728 ...
Stochastic algorithms for self-consistent calculations of electronic structures. T Ko, X Li. Mathematics of Computation 92 (342), 1693-1728, 2023. 6, 2023.
Stochastic algorithms for self-consistent calculations of electronic structures ... self-consistent field (SCF) calculations of electron structures is studied.
Dec 13, 2021 · An algorithm to perform stochastic generalized active space calculations, Stochastic-GAS, is presented, that uses the Slater determinant ...
A stochastic algorithm based on Metropolis Monte Carlo (MC) is presented for the size-extensive vibrational self-consistent field methods (XVSCF(n) and ...
The stochastic self-consistent harmonic approximation: calculating vibrational properties of materials with full quantum and anharmonic effects.