Publication Cover
Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 122, 2024 - Issue 13
55
Views
0
CrossRef citations to date
0
Altmetric
Research Articles

An ab initio journey into the electronic structure of Be3

Article: e2297822 | Received 11 Nov 2023, Accepted 18 Dec 2023, Published online: 26 Dec 2023

References

  • R.E. Watson, Phys. Rev. 119, 170 (1960). doi:10.1103/PhysRev.119.170
  • A.W. Weiss, Phys. Rev. 122, 1826 (1961). doi:10.1103/PhysRev.122.1826
  • A. Kalemos, J. Chem. Phys. 145, 214302 (2016).doi:10.1063/1.4967819
  • A. Kalemos. Mol. Phys. 121, e2230315 (2023).doi:10.1080/00268976.2023.2230315
  • V.V. Meshkov, A.V. Stolyarov, M.C. Heaven, C. Haugen, and R.J. LeRoy, J. Chem. Phys. 140, 064315 (2014). doi:10.1063/1.4864355
  • N.N. Greenwood and A. Earnshaw, Chemistry of the Elements (Butterworth-Heinemann, Oxford, 1997).
  • M. Bulski, Mol. Phys. 29, 1171 (1975). doi:10.1080/00268977500100991
  • R.J. Harrison and N.C. Handy, Chem. Phys. Lett. 123, 321 (1986). doi:10.1016/0009-2614(86)80080-X
  • T.J. Lee, A.P. Rendell and P.R. Taylor, J. Chem. Phys. 92, 489 (1990). doi:10.1063/1.458570
  • I.G. Kaplan, S. Roszak and J. Leszczynski, J. Chem. Phys. 113, 6245 (2000). doi:10.1063/1.1287835
  • J.M. Junquera-Hernández, J. Sánchez-Marín, G.L. Bendazzoli, and S. Evangelisti, J. Chem. Phys. 120, 8405 (2014). doi:10.1063/1.1695328
  • J.M. Junquera-Hernández, J. Sánchez-Marín, G.L. Bendazzoli, and S. Evangelisti, J. Chem. Phys. 121, 7103 (2014). doi:10.1063/1.1792152
  • J.I. Amaro-Estrada, A. Scemama, M. Caffarel, and A. Ramírez-Solís, J. Chem. Phys. 135, 104311 (2011). doi:10.1063/1.3635403
  • A. Ramírez-Solís and O. Novaro, Int. J. Quantum Chem. 112, 2952 (2012). doi:10.1002/qua.24140
  • M.C. Heaven, J.M. Merritt and V.E. Bondybey, Annu. Rev. Phys. Chem. 62, 375 (2011). doi:10.1146/annurev-physchem-032210-102545
  • M.M. Montero-Campillo, O. Mó, M. Yáñez, I. Alkorta, and J. Elguero, Adv. Inorg. Chem. 73, 73 (2019). doi:10.1016/bs.adioch.2018.10.003
  • N.B. Jaffe, J.F. Stanton and M.C. Heaven, J. Phys. Chem. Lett. 14, 8339 (2023). doi:10.1021/acs.jpclett.3c02169
  • A. Kalemos, J. Chem. Phys. 146, 104307 (2017).doi:10.1063/1.4977930
  • A. Kalemos, J. Phys. Chem. A. 122, 8882 (2018). doi:10.1021/acs.jpca.8b07536
  • A. Kalemos, Chem. Phys. Lett. 739, 136964 (2020). doi:10.1016/j.cplett.2019.136964
  • A. Kramida, Yu. Ralchenko, J. Reader, and NIST ASD Team (2022). NIST Atomic Spectra Database (ver. 5.10), [Online]. Available: https://physics.nist.gov/asd. National Institute of Standards and Technology, Gaithersburg, MD.
  • T.H.Jr. Dunning, J. Chem. Phys. 90, 1007 (1989). doi:10.1063/1.456153
  • MOLPRO is a package of ab initio programs written by H.-J. Werner, P. J. Knowles, G. Knizia, F. R. Manby, M. Schütz, P. Celani, W. Györffy, D. Kats, T. Korona, R. Lindh, A. Mitrushenkov, G. Rauhut, K. R. Shamasundar, T. B. Adler, R. D. Amos, A. Bernhardsson, A. Berning, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, E. Goll, C. Hampel, A. Hesselmann, G. Hetzer, T. Hrenar, G. Jansen, C. Köppl, Y. Liu, A. W. Lloyd, R. A. Mata, A. J. May, S. J. McNicholas, W. Meyer, M. E. Mura, A. Nicklaß, D. P. O'Neill, P. Palmieri, D. Peng, K. Pflüger, R. Pitzer, M. Reiher, T. Shiozaki, H. Stoll, A. J. Stone, R. Tarroni, T. Thorsteinsson and M. Wang. MOLPRO, version 2012.1, a package of ab initio programs; University College Cardiff Consultants Limited: Cardiff, U.K., 2008.

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.