Ab initiostudy of the vibronic and spin–orbit coupling in theX 2Πustate of C2H+2
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.469108
Reference23 articles.
1. Individualized configuration selection in CI calculations with subsequent energy extrapolation
2. Energy extrapolation in CI calculations
3. Applicability of the multi-reference double-excitation CI (MRD-CI) method to the calculation of electronic wavefunctions and comparison with related techniques
4. Implementation of the table CI method: Matrix elements between configurations with the same number of open-shells
5. Theoretical study of the U.V. spectrum of acetylene
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1. Ab initio investigation of dicyanoacetylene cation in the ground electronic state: Vibronic coupling and photoionization selection rules;Journal of Molecular Spectroscopy;2020-07
2. SCCS−radical: Renner-Teller effect and spin-orbit coupling in the X 2Πu electronic state;Journal of the Serbian Chemical Society;2019
3. Topological study of nonadiabatic effects in Π electronic states of tetra-atomic molecules;Molecular Physics;2018-04-08
4. Variational calculation of the vibronic spectrum in the X2Пu electronic state of C6-;Journal of the Serbian Chemical Society;2018
5. 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
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