Toward breaking the curse of dimensionality in (ro)vibrational computations of molecular systems with multiple large-amplitude motions
Author:
Affiliation:
1. Institute of Chemistry, ELTE, Eötvös Loránd University, Pázmány Péter sétány 1/A, Budapest 1117, Hungary
Funder
Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5090846
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2. Vibration–rotation-tunneling states of the benzene dimer: an ab initio study
3. Variationally exact rovibrational spectra of nonrigid triatomics: The HeHF van der Waals molecule
4. Exact full‐dimensional bound state calculations for (HF)2, (DF)2, and HFDF
5. Spectra of water dimer from a newab initiopotential with flexible monomers
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