New Variational Method for the Ab Initio Study in Valence Coordinates of the Renner−Teller Effect in Tetra-Atomic Systems
Author:
Affiliation:
1. Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée, France
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct100071d
Reference35 articles.
1. Renner–Teller effect in linear tetra-atomic molecules. I. Variational method including couplings between all degrees of freedom on six-dimensional potential energy surfaces
2. Renner–Teller effect in linear tetra-atomic molecules. II. Rovibronic levels analysis of the X Π2u electronic state of HCCH+
3. Vibration-rotation coordinates and kinetic energy operators for polyatomic molecules
4. Efficient calculation of rovibrational eigenstates of sequentially bonded four‐atom molecules
5. A variational method for the calculation of spin-rovibronic levels of Renner-Teller triatomic molecules
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3. Underlying theory of a model for the Renner–Teller effect in any-atomic linear molecules on example of the X 2Πu electronic state of C5−;Chemical Physics;2016-01
4. The Renner-Teller effect in HCCCl+(X̃2Π) studied by zero-kinetic energy photoelectron spectroscopy and ab initio calculations;The Journal of Chemical Physics;2015-05-21
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