An ab initio journey into the electronic structure of Be 3
Author:
Affiliation:
1. Department of Chemistry, Laboratory of Physical Chemistry, National and Kapodistrian University of Athens, Athens, Hellas
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2023.2297822
Reference23 articles.
1. Approximate Wave Functions for Atomic Be
2. Configuration Interaction in Simple Atomic Systems
3. The nature of the chemical bond in Be2+, Be2, Be2−, and Be3
4. An ab initio study of the bonding in BeH ( X 2 Σ + ), BeH − ( X 1 Σ + ), Be 2 ( X 1 Σ + g ), O 3 ( X ˜ 1 A 1 ), and CO 3 (˜ X 1 A 1 ) through an adiabatic to diabatic transformation
5. Direct-potential-fit analyses yield improved empirical potentials for the ground XΣg+1 state of Be2
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