MCSCF wave functions for excited states of polar molecules: Application to BeO
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.439255
Reference33 articles.
1. Electronic structure of CaO. I
2. Computed Potential Curve and Spectroscopic Constants for Beryllium Oxide Ground State in Molecular Orbital Approximation
3. Valence Levels of Beryllium Oxide
4. Valence Excited States of BeO
5. Computed Ground State properties of BeO, MgO, CaO and SrO in Molecular Orbital Approximation
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2. Excited States, Symmetry Breaking, and Unphysical Solutions in State-Specific CASSCF Theory;The Journal of Physical Chemistry A;2023-05-04
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4. Theoretical study of low energy electron collisions with the BeO molecule;Journal of Physics B: Atomic, Molecular and Optical Physics;2022-12-29
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