Preview

Vestnik of North-Eastern Federal University

Advanced search

Secondary quantization and standard values of the theory of atomic spectra in j-representation

https://doi.org/10.25587/z1165-0666-0769-e

Abstract

Two binary operators and formed by the tensor product of the operators of creation and annihilation of electrons are introduced. The operator A+ is obtained by the tensor product of two operators of electron creation and, in a particular case, transforms into the raising operator Q+ of the quasi-spin. The operator B is obtained by the tensor product of the creation and annihilation operator of the electron and, in a particular case, changes to the operator of the number of electrons. Various commutation properties of the binary operators A+ and B are investigated. In a specific situation, they transform into commutation relations for the operators of quasi-spin and the number of electrons. Relationships have been established between the matrix elements of these operators concerning the state functions with different numbers of equivalent electrons. The following has been established: 1) relationships between submatrix elements of binary operators and coefficients of fractional parentage; 2) five conditions of "orthogonality" of coefficients of fractional parentage; 3) four summation conventions for submatrix elements of Tk, operator representing the sum of unity operators tk of k rank that are unitary in the j-space; 4) relationships between submatrix elements and coefficients of fractional parentage. The results obtained in this article link the matrix elements of the paired operators A+, B, quasi-spin operators, creation and annihilation operators of the electron, and coefficients of fractional parentage. In the future, they can significantly simplify studies related to calculating the matrix elements of the relativistic Hamiltonian of many-electron atoms and ions.

About the Authors

I. S. Kychkin
M.K. Ammosov North-Eastern Federal University
Russian Federation


V. I. Sivtsev
M.K. Ammosov North-Eastern Federal University
Russian Federation


References

1. Ermler Walter C. jj-Coupling-based atomic self-consistent-field calculations with relativistic effective core potentials and two-component spinors// Computer Physics Communications. - 2018. - Vol. 229. - P. 182-198.

2. Gaigalas G., Froese Fisher C., Rynkun P. and Jönsson P. JJ2LSJ Transformation and Unique Labeling for Energy Levels // Atoms. - 2017. - Vol. 5. - № 6. doi:10.3390/atoms5010006.

3. Кычкин, И. С. Основы релятивистской теории многоэлектронных атомов и ионов / И. С. Кычкин. - Москва : Физматлит, 1994. - 273 с.

4. Gaigalas G., Rudzikas Z. On the secondly quantized theory of many-electron atom. // J. Phys. B.: Mol. Opt. Phys. - 1996 - P. 3303-3318.

5. Gaigalas G., Zalandauskas T, Rudzikas Z. LS-jj transformation matrices for a shell of equivalent electrons. // At. Data and Nuc. Data Tables. - 2003. - Vol. 84, is. 2. - P. 99-190.

6. Gaigalas G. Coupling: The program for searching optimal coupling scheme in atomic theory // Computer Physics Communications. - 2020. - Vol. 247. - 106960.

7. Safronova U. I., Mancini R. Atomic data for dielectronic satellite recombination into Ne5+. // At. Data and Nuc. Data Tables. - 2009. - Vol. 95. - P. 54-95.

8. Amaro P., Fratini F., Safari L., Machado J., Guerra M., Indelicato P., Santos J.P. Relativistic evaluation of the two-photon decay of the metastable 1s22s2p 3P0 state in berylliumlike ions with an effective-potential model. //Phys. Rev. A. - 2016. - Vol. 93. - № 032502.

9. Aguiar J. C., Di Rocco H. O. An examination of the consistency of the published levels of the p2, p3 and p4 isoelectronic sequences using jj-relativistic expressions. // J. Quan. Spectr. & Radiative Transfer. - 2014. - Vol. 149. - P. 1-7.

10. Jiao L. F., Sun Z. H., Xu Z. X., Xu F. R. Chong Qi. Correlated-basis method for shell-model calculations //Phys. Rev. C. - 2014. - Vol. 90. - № 024306.

11. Собельман, И. И. Введение в теорию атомных спектров / И. И. Собельман. - Москва : Физматгиз, 1963. - Москва : Книга по требованию, 2013. - 642 с.

12. Вигнер, Е. Теория групп и ее приложения к квантовомеханической теории атомных спектров / Е. Вигнер. - Москва : ИЛ, 1961. - 453 с.

13. Кычкин, И. С. Генеалогические коэффициенты в j-представлении / И. С. Кычкин, В. И. Сивцев // Вестник СВФУ. - 2019. - № 3. - С. 34-42.

14. Кычкин, И. С. Единичный тензорный оператор в j-представлении / И. С. Кычкин, В. И. Сивцев // Вестник СВФУ. - 2019. - № 5. - С. 39-50.

15. Кычкин, И. С. Операторы рождения и уничтожения электронов - двойной неприводимый тензорный оператор / И. С. Кычкин, В. И. Сивцев // Вестник СВФУ. - 2019. - № 2. - С. 39-50.


Review

For citations:


Kychkin I.S., Sivtsev V.I. Secondary quantization and standard values of the theory of atomic spectra in j-representation. Vestnik of North-Eastern Federal University. 2021;(5):25-35. (In Russ.) https://doi.org/10.25587/z1165-0666-0769-e

Views: 106


Creative Commons License
This work is licensed under a Creative Commons Attribution 4.0 License.


ISSN 2222-5404 (Print)
ISSN 2587-5620 (Online)