Geometry optimization of solids using delocalized internal coordinates
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference15 articles.
1. Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives
2. The generation and use of delocalized internal coordinates in geometry optimization
3. H.B. Schlegel, in: K.P. Lawley (Ed.), Ab initio methods in Quantum Chemistry – I, Wiley, New York, 1987, p. 249
4. Molecular Vibrations;Wilson,1955
5. Geometry optimization in redundant internal coordinates
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