1999•Journal of Mathematical ChemistryRequires access

Another way to implement the Powell formula for updating Hessian matrices related to transition structures

Josep M. Anglada, Emili Besalú, Josep María Bofill, J. Rubio

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Key concepts: Hessian matrix, Quasi-Newton method, Mathematics, Hessian equation, Lanczos resampling, Applied mathematics, Matrix (chemical analysis), Scheme (mathematics)

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