A reduced-restricted-quasi-Newton-Raphson method for locating and optimizing energy crossing points between two potential energy surfaces

Josep Maria Anglada, Josep Maria Bofill. A reduced-restricted-quasi-Newton-Raphson method for locating and optimizing energy crossing points between two potential energy surfaces. Journal of Computational Chemistry, 18(8):992-1003, 1997. [doi]

Authors

Josep Maria Anglada

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Josep Maria Bofill

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