Published April 28, 2021
| Version v1
Dataset
Open
Data for "Anomalous intensities in the infrared emission of CH+ explained by quantum nuclear motion and electric dipole calculations"
Authors/Creators
- 1. Center for Astrophysics | Harvard & Smithsonian
- 2. Johns Hopkins University
- 3. Observatoire de Paris, PSL University; Sorbonne University
Description
Raw and final data for "Anomalous intensities in the infrared emission of CH+ explained by quantum nuclear motion and electric dipole calculations".
CFOUR input files and output grids are provided for the (EOM-)CCSDT/cc-pCVQZ electronic energy and dipole calculations for the X and A states of CH+. Plaintext ASCII versions of Tables B1 and B2 from the manuscript are also included. See README.txt for details.
Files
CCSDT_ccpCVQZ.zip
Files
(20.2 kB)
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