An exact variational method to calculate rovibrational spectra of polyatomic molecules with large amplitude motion
Author:
Affiliation:
1. Division of Chemistry, Department of Energy and Photon Sciences, Brookhaven National Laboratory, Upton, New York 11973-5000, USA
Funder
U.S. Department of Energy (DOE)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/1.4961642
Reference90 articles.
1. Variational quantum approaches for computing vibrational energies of polyatomic molecules
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3. Exact and constrained kinetic energy operators for polyatomic molecules: The polyspherical approach
4. The fourth age of quantum chemistry: molecules in motion
5. Quantum approaches to polyatomic reaction dynamics
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