Calculation and fitting of potential energy and dipole moment surfaces for the water molecule: Fully ab initio determination of vibrational transition energies and band intensities
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.473959
Reference42 articles.
1. A progress report on the status of the COLUMBUSMRCI program system
2. Truncated Singular Value Decomposition Solutions to Discrete Ill-Posed Problems with Ill-Determined Numerical Rank
3. Truncated Singular Value Decomposition Solutions to Discrete Ill-Posed Problems with Ill-Determined Numerical Rank
4. Ab initio SCF and CI studies on the ground state of the water molecule. II. Potential energy and property surfaces
5. The quartic force field of H2O determined by many‐body methods that include quadruple excitation effects
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