Combination of perturbation theory with the configuration-interaction method

M. G. Kozlov, I. I. Tupitsyn, A. I. Bondarev, and D. V. Mironova
Phys. Rev. A 105, 052805 – Published 10 May 2022

Abstract

The present atomic theory provides accurate and reliable results for atoms with a small number of valence electrons. However, most current methods of calculations fail when the number of valence electrons exceeds four or five. This means that we cannot make reliable predictions for more than half of the periodic table. Here we suggest a modification of the configuration interaction plus many-body perturbation theory, which may be applicable to atoms and ions with partly filled d and f shells.

  • Figure
  • Figure
  • Figure
  • Figure
  • Received 4 February 2022
  • Accepted 26 April 2022

DOI:https://doi.org/10.1103/PhysRevA.105.052805

©2022 American Physical Society

Physics Subject Headings (PhySH)

Atomic, Molecular & Optical

Authors & Affiliations

M. G. Kozlov1,2, I. I. Tupitsyn3, A. I. Bondarev4, and D. V. Mironova2

  • 1Petersburg Nuclear Physics Institute of NRC “Kurchatov Institute,” 188300 Gatchina, Russia
  • 2St. Petersburg Electrotechnical University “LETI,” Prof. Popov Str. 5, 197376 St. Petersburg, Russia
  • 3Department of Physics, St. Petersburg State University, Ulianovskaya 1, Petrodvorets, 198504 St. Petersburg, Russia
  • 4Center for Advanced Studies, Peter the Great St. Petersburg Polytechnic University, Polytekhnicheskaja 29, 195251 St. Petersburg Russia

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 105, Iss. 5 — May 2022

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review A

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×