Artificial Symmetries for Calculating Vibrational Energies of Linear Molecules
Linear molecules usually represent a special case in rotational-vibrational calculations due to a singularity of the kinetic energy operator that arises from the rotation about the <i>a</i> (the principal axis of least moment of inertia, becoming the molecular axis at the linear equilibr...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2021-03-01
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| Series: | Symmetry |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-8994/13/4/548 |