Surprising Electronic Structure of the BeH– Dimer: a Full-Configuration-Interaction Study-Reference-Cited by-同舟云学术

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Surprising Electronic Structure of the BeH– Dimer: a Full-Configuration-Interaction Study

Published:2012-12-31 Issue:1 Volume:117 Page:192-199
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Verdicchio Marco¹²,Bendazzoli Gian Luigi³,Evangelisti Stefano¹,Leininger Thierry¹

Affiliation:

1. Laboratoire de Chimie et Physique Quantiques - IRSAMC, Université de Toulouse et CNRS, 118, Route de Narbonne, F-31062 Toulouse Cedex, France

2. Dipartimento di Chimica, Università di Perugia, 8, Via Elce di Sotto, 06123 Perugia, Italy

3. Dipartimento di Chimica Industriale “Toso Montanari”, P.A.M. Università di Bologna, Viale del Risorgimento 4, 40136 Bologna, Italy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp310200j

Reference30 articles.

1. Many-Body Calculations of the Electron Affinity for Ca and Sr

2. A Compilation of Energy Levels and Wavelengths for the Spectrum of Neutral Beryllium (Be I)

3. The Vibration-Rotation Emission Spectrum of Free BeH 2

4. End states and singlet–triplet degeneracy in linear atomic chains

5. A theoretical study of linear beryllium chains: Full configuration interaction

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1. 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;Molecular Physics;2023-07-06

2. The nature of the chemical bond in Be2+, Be2, Be2−, and Be3;The Journal of Chemical Physics;2016-12-01

3. Finite-temperature full configuration interaction;Theoretical Chemistry Accounts;2014-04-22

4. Comparison of the interactions in the rare gas hydride and Group 2 metal hydride anions;The Journal of Chemical Physics;2014-02-28

5. Behavior of the Position–Spread Tensor in Diatomic Systems;Journal of Chemical Theory and Computation;2013-11-21

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