Journal Article10.1016/0009-2614(85)80574-1
A Broyden—Fletcher—Goldfarb—Shanno optimization procedure for molecular geometries
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TL;DR: In this article, the use of the Broyden-Fletcher-Goldfarb-Shanno (BFGS) quasi-Newton update in conjunction with a partial line search is described.
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About: This article is published in Chemical Physics Letters. The article was published on 06 Dec 1985. The article focuses on the topics: Quasi-Newton method & Broyden–Fletcher–Goldfarb–Shanno algorithm.
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Citations
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First-principles calculations of the electronic and possible topological properties of confirmed two-dimensional high <i>T</i><sub>c</sub> superconductors Nb<sub>2</sub>CoS<sub>4</sub>, Nb<sub>2</sub>CuS<sub>4</sub>, and PtN<sub>2</sub>
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References
Conditioning of Quasi-Newton Methods for Function Minimization
TL;DR: In this paper, a class of approximating matrices as a function of a scalar parameter is presented, where the problem of optimal conditioning of these matrices under an appropriate norm is investigated and a set of computational results verifies the superiority of the new methods arising from conditioning considerations to known methods.
A family of variable-metric methods derived by variational means
TL;DR: In this paper, a rank-two variable-metric method was derived using Greenstadt's variational approach, which preserves the positive-definiteness of the approximating matrix.
3.2K
The Convergence of a Class of Double-rank Minimization Algorithms 1. General Considerations
TL;DR: In this article, a more detailed analysis of a class of minimization algorithms, which includes as a special case the DFP (Davidon-Fenton-Powell) method, has been presented.
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