Energy-Represented Direct Inversion in the Iterative Subspace within a Hybrid Geometry Optimization Method
Author:
Affiliation:
1. Department of Chemistry, University of Washington, Seattle, Washington 98195-1700
2. Gaussian, Inc., Wallingford, Connecticut 06492
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct050275a
Reference27 articles.
1. GEOMETRY OPTIMIZATION ON POTENTIAL ENERGY SURFACES
2. The Convergence of a Class of Double-rank Minimization Algorithms 1. General Considerations
3. A new approach to variable metric algorithms
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