A Conjugate Gradient Algorithm with a Trust Region for Molecular Geometry Optimization

Josep María Bofill

doi:10.1007/s008940050002

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A Conjugate Gradient Algorithm with a Trust Region for Molecular Geometry Optimization

Josep María Bofill

Year: 1995 Journal: Journal of Molecular Modeling Vol: 1 (1)Pages: 11-17 Publisher: Springer Science+Business Media

DOI: 10.1007/s008940050002

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Keywords:

Conjugate gradient method Nonlinear conjugate gradient method Derivation of the conjugate gradient method Conjugate residual method Gradient method Metric (unit) Algorithm Biconjugate gradient method Trust region Conjugate Computer science Function (biology) Mathematics Gradient descent Mathematical optimization Mathematical analysis Artificial intelligence Artificial neural network

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Photochromic and Fluorescence Chemistry

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Advanced Polymer Synthesis and Characterization

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Organic Chemistry Cycloaddition Reactions

Physical Sciences → Chemistry → Organic Chemistry

A Conjugate Gradient Algorithm with a Trust Region for Molecular Geometry Optimization

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