Calculation of excited states of the polycation Bi 3+ 5 by the spin-orbit configuration interaction method


  • A.N. Romanov Lomonosov Moscow State University
  • O.A. Kondakova Lomonosov Moscow State University
  • A.V. Sulimov Dimonta
  • V.B. Sulimov Dimonta
  • D.N. Vtyurina Dimonta


elastic waves, block medium, microstructure, rheological scheme, numerical algorithm


The polycation Bi 3+5 is one of the possible emitters of the broadband NIR luminescence from optics materials doped by bismuth. The Bi 3+5 lowest excited states are calculated by the spin-orbit configuration interaction method. These excited states are responsible for the optical absorption features in NIR, visible and near UV spectral ranges. The numerical results are in good agreement with the experimental data corresponding to the Bi 3+5 absorption spectrum in chloroaluminate melts. The existence of the lowest excited state with radiative transition to the ground state in NIR is confirmed. Thus, the Bi 3+5 polycation can be a source of the broadband NIR emission in bismuth doped optical materials.

Author Biographies

A.N. Romanov

O.A. Kondakova

A.V. Sulimov

Dimonta, LLC
• System Programmer

V.B. Sulimov

Dimonta, LLC
• Head of Laboratory

D.N. Vtyurina

Dimonta, LLC
• Junior Researcher


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How to Cite

Романов А.Н., Кондакова О.А., Сулимов А.В., Сулимов В.Б., Втюрина Д.Н. Calculation of Excited States of the Polycation Bi 3+ 5 by the Spin-Orbit Configuration Interaction Method // Numerical Methods and Programming (Vychislitel’nye Metody i Programmirovanie). 2011. 12. 443-449



Section 1. Numerical methods and applications

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