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Irreducible tensor form of three-particle operator for open-shell atoms

100%

Juršėnas R., Merkelis G.

A three-particle operator in a second quantized form is studied systematically and comprehensively. The operator is transformed into irreducible tensor form. Possible coupling schemes, identified by the classes of symmetric group S6, are presented. Recoupling coefficients that make it possible to transform a given scheme into another are produced by using the angular momentum theory combined with quasispin formalism. The classification of the three-particle operator which acts on n = 1, 2,..., 6 open shells of equivalent electrons of atom is considered. The procedure to construct three-particle matrix elements are examined.

Hyperfine structure operator in the tensorial form of second quantization

86%

Gaigalas G., Rudzikas Z., Scharf O.

Open Physics

2004

vol. 2

issue 4

720-736

The general tensorial form of the hyperfine interaction operator in the formalism of second quantization is presented. Both diagonal and off-diagnonal matrix elements of the above-mentioned operator are found using an approach based on a combination of second quantization in the coupled tensorial form, angular momentum theory in three spaces (orbital, spin and quasispin) and a generalised graphical technique. This methodology allows us to account for correlation effects efficiently and, therefore, to study the hyperfine interactions in complex many-electron atoms, those with openf-shells included, in a practical manner. All this will lead us to design an efficient program for large scale calculations of hyperfine structure and isotope shift.

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2 Open Physics

1 2011

1 2004

1 Gaigalas G.

1 Juršėnas R.

1 Merkelis G.

1 Rudzikas Z.

1 Scharf O.

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Irreducible tensor form of three-particle operator for open-shell atoms

Hyperfine structure operator in the tensorial form of second quantization