A new method for constructing multidimensional potential energy surfaces by a polar coordinate interpolation technique
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference22 articles.
1. Molecular Potential Energy Functions;Murrel,1984
2. The analytical representation of electronic potential-energy surfaces
3. Potential Energy Surfaces: Proceedings of the Mariapfarr Workshop in Theoretical Chemistry,1999
4. Vibrational self-consistent field method for many-mode systems: A new approach and application to the vibrations of CO adsorbed on Cu(100)
5. The adiabatic rotation approximation for rovibrational energies of many-mode systems: Description and tests of the method
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