Performance of a black-box-type rovibrational method in comparison with a tailor-made approach: Case study for the methane–water dimer
Author:
Affiliation:
1. Institute of Chemistry, ELTE Eötvös Loránd University, Pázmány Péter sétány 1/A, 1117 Budapest, Hungary
Funder
Swiss National Science Foundation
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0054512
Reference47 articles.
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4. The vibrational spectrum of HONO: Fully coupled 6D direct dynamics
5. Exact numerical computation of a kinetic energy operator in curvilinear coordinates
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