A gradient-based trust radius update suitable for saddle point and transition state optimization
Journal Articles
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Overview
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Research
keywords
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ALGORITHM
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CONVERGENCE CONDITIONS
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Chemistry
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Chemistry, Multidisciplinary
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GEOMETRY OPTIMIZATION
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GROWING STRING METHOD
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POTENTIAL-ENERGY SURFACES
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Physical Sciences
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REACTION PATHWAYS
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RESTRICTED STEP METHOD
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SEARCH
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STATIONARY-POINTS
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SYNCHRONOUS-TRANSIT
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Saddle point optimization
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Science & Technology
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Theoretical chemistry
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Transition state optimization
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Trust radius method
Additional Document Info
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