Comparison of solution schemes for atomic simulation problems

DOI10.1016/0021-9991(85)90084-1zbMath0586.73145OpenAlexW1995985802MaRDI QIDQ1071581

M. A. Dokainish, M. Mullins

Publication date: 1985

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/0021-9991(85)90084-1

zbMATH Keywords

comparisonequilibrium configurationsnumerical integratorssmall modificationconjugate gradient schemeatomic simulation studiesdynamic simulationslow-lying metastable configurationsstatic solution techniquestrue lowest energy state

Mathematics Subject Classification ID

Probabilistic models, generic numerical methods in probability and statistics (65C20)

Cites Work

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• Numerical solution of ordinary differential equations
• On Numerical Integration of Ordinary Differential Equations
• A Comparison of Several Current Optimization Methods, and the use of Transformations in Constrained Problems
• Generalized Multistep Methods in Satellite Orbit Computation
• The automatic integration of ordinary differential equations
• Efficiency of Predictor-Corrector Procedures

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