Calculation of Rotation–Vibration Energy Levels of the Water Molecule with Near-Experimental Accuracy Based on an ab Initio Potential Energy Surface
Author:
Affiliation:
1. Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom
2. Institute of Applied Physics, Russian Academy of Science, Ulyanov Street 46, Nizhny Novgorod 603950, Russia
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp312343z
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3. Distinguishable Electron Method (DEM) for Electronic Structure Calculations. II. Derivation of Accessible Correlation Expressions for Physical Properties and Application to the Polarizability of Two‐Electron Atoms
4. Correlation problems in solids
5. Toward spectroscopic accuracy of ab initio calculations of vibrational frequencies and related quantities: a case study of the HF molecule
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