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Excerpt from A Powerful Truncated Newton Method for Potential Energy Minimization
E(x) E(.r1 x2 We will assume that E is twice continuously differentiable and denote 85m the gradient of E at x by the vector g(x) With 11 components T' and the Hesszan i a 635m matrix of second derivatives at x as H(x) With n components H,-j(x) H We are Xi Xj'
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A Powerful Truncated Newton Method for Potential Energy Minimization
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Paperback. Zustand: New. Print on Demand. This book delves into the intriguing world of energy minimization techniques, specifically within the context of potential energy functions. The author, a renowned expert in the field, meticulously explores various numerical algorithms designed to efficiently solve complex optimization problems. By concentrating on the practical details and implementation aspects of these methods, the book empowers scientists and engineers to effectively address challenges related to potential energy minimization. Its comprehensive insights bridge theoretical foundations with real-world applications, making it an invaluable resource for researchers seeking to optimize molecular structures, simulate materials, and tackle other cutting-edge problems in computational science. This book is a reproduction of an important historical work, digitally reconstructed using state-of-the-art technology to preserve the original format. In rare cases, an imperfection in the original, such as a blemish or missing page, may be replicated in the book. print-on-demand item. Bestandsnummer des Verkäufers 9781332868988_0
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