A comparison of geometry optimization with internal, cartesian, and mixed coordinates
- 14 March 1992
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 44 (S26) , 243-252
- https://doi.org/10.1002/qua.560440821
Abstract
No abstract availableKeywords
This publication has 14 references indexed in Scilit:
- Geometry optimization in Cartesian coordinates: Constrained optimizationJournal of Computational Chemistry, 1992
- Geometry optimization in redundant internal coordinatesThe Journal of Chemical Physics, 1992
- Geometry optimization in cartesian coordinates: The end of the Z‐matrix?Journal of Computational Chemistry, 1991
- Projection operator method for geometry optimization with constraintsJournal of Computational Chemistry, 1991
- Partial optimization of large molecules and clustersJournal of Computational Chemistry, 1990
- Newton Based Optimization Methods for Obtaining Molecular ConformationPublished by Elsevier ,1989
- Some Practical Suggestions for Optimizing Geometries and Locating Transition StatesPublished by Springer Nature ,1989
- Introduction to Non-Linear OptimizationPublished by Springer Nature ,1985
- An efficient ab initio gradient programTheoretical Chemistry Accounts, 1979
- Ab initiocalculation of force constants and equilibrium geometries in polyatomic moleculesMolecular Physics, 1969