Using Nested Contractions and a Hierarchical Tensor Format To Compute Vibrational Spectra of Molecules with Seven Atoms
Author:
Affiliation:
1. Chemistry Department, Queen’s University, Kingston, Ontario K7L 3N6, Canada
Funder
Natural Sciences and Engineering Research Council of Canada
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.5b10015
Reference90 articles.
1. The variational method for the calculation of RO-vibrational energy levels
2. The calculation of the vibration-rotation energies of triatomic molecules using scattering coordinates
3. Variational and perturbative descriptions of highly vibrationally excited molecules
4. Theoretical Methods for Rovibrational States of Floppy Molecules
5. Variational quantum approaches for computing vibrational energies of polyatomic molecules
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