Using nondirect product Wigner D basis functions and the symmetry-adapted Lanczos algorithm to compute the ro-vibrational spectrum of CH4–H2O
Author:
Affiliation:
1. Chemistry Department, Queen’s University, Kingston, Ontario K7L 3N6, Canada
Funder
Natural Sciences and Engineering Research Council of Canada
Compute Canada
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0044010
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1. Far infrared vibration‐rotation‐tunneling spectroscopy and internal dynamics of methane–water: A prototypical hydrophobic system
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5. Rovibrational transitions of the methane–water dimer from intermolecular quantum dynamical computations
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