Geometry optimization by direct inversion in the iterative subspace
Author:
Publisher
Elsevier BV
Subject
Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry
Reference15 articles.
1. Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules
2. Normal coordinate ab initio force relaxation
3. Computational experience with quadratically convergent minimisation methods
4. Rapid geometry optimization for semi-empirical molecular orbital methods
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