A hierarchy of potential energy surfaces constructed from energies and energy derivatives calculated on grids
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3092921
Reference55 articles.
1. Zur Quantentheorie der Molekeln
2. Anharmonic vibrational properties by a fully automated second-order perturbative approach
3. Automated calculation of fundamental frequencies: Application to AlH3 using the coupled-cluster singles-and-doubles with perturbative triples method
4. Self‐consistent field energies and wavefunctions for coupled oscillators
5. The self-consistent-field approach to polyatomic vibrations
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