LS–jj transformation matrices for a shell of equivalent electrons

Gaigalas, Gediminas; Zalandauskas, T.; Rudzikas, Zenonas

doi:10.1016/s0092-640x(03)00014-7

Cited by 57 publications

(42 citation statements)

References 8 publications

(10 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Here c i is the weight of the CSF in jj coupling (see (1)), b r is the weight in LS coupling, and (φ i |ψ r ) is the corresponding transformation matrix [9]. In order to calculate the splitting of the energy levels -γJ of an ion in the solid matrix, the CF potential is included, using a fully ab initio method.…”

Section: ψ (γPmentioning

confidence: 99%

“…Calculations have been performed both taking into account the J-mixing and neglecting it. In the former case, the wavefunctions of the CF sub-levels are defined by (9), and all types of active set of orbitals (11)- (17) were used. In the second case the wavefunctions of the CF sub-levels are defined by (10).…”

Section: Calculations Of the Crystal-field Splitting Of The Ground Stmentioning

confidence: 99%

“…The ASFs were constructed with 102 CSFs for J = 0, 189 CSFs for J = 1, 271 CSFs for J = 2, 233 CSFs for J = 3, 190 CSFs for J = 4, 100 CSFs for J = 5, and 57 CSFs for J = 6 when the restricted active spaces of the CSFs were generated using AS 10 active set of orbitals. Table 4 presents the main weights c ia (see (9)) for the lowest eigenfunctions of U 4+ ion in MCDF+B+ QED with VV correlations. The field was formed by 50 nearest neighbours.…”

Section: Calculations Of the Crystal-field Splitting Of The Ground Stmentioning

confidence: 99%

“…Table 4. The largest weights cia (see (9)) for the lowest energy eigenfunctions of U 4+ ions in MCDF+B+QED with VV correlations. The field was formed by 50 nearest neighbours.…”

Section: Calculations Of the Crystal-field Splitting Of The Ground Stmentioning

confidence: 99%

See 3 more Smart Citations

Ab initiocalculations of crystal-field for actinide dioxides

Gaigalas¹,

Gaidamauskas²,

Rudzikas³

et al. 2009

Lithuanian J. Phys.

View full text Add to dashboard Cite

In this paper we report on large-scale multiconfiguration Dirac-Fock and relativistic configuration-interaction calculations in the framework of crystal-field theory of the actinide dioxides. In order to be able to perform such calculations the package of the relativistic atomic structure calculations GRASP2K has been extended. The correlation and relativistic effects were taken into account. Calculated crystal-field energy levels of actinide dioxides are compared with other theoretical and with experimental results based on inelastic neutron scattering measurements.

show abstract

Section: ψ (γPmentioning

confidence: 99%

Section: Calculations Of the Crystal-field Splitting Of The Ground Stmentioning

confidence: 99%

Section: Calculations Of the Crystal-field Splitting Of The Ground Stmentioning

confidence: 99%

“…Table 4. The largest weights cia (see (9)) for the lowest energy eigenfunctions of U 4+ ions in MCDF+B+QED with VV correlations. The field was formed by 50 nearest neighbours.…”

Section: Calculations Of the Crystal-field Splitting Of The Ground Stmentioning

confidence: 99%

See 2 more Smart Citations

Ab initiocalculations of crystal-field for actinide dioxides

Gaigalas¹,

Gaidamauskas²,

Rudzikas³

et al. 2009

Lithuanian J. Phys.

View full text Add to dashboard Cite

show abstract

“…For practical purposes, a transformation from jj-to LS-coupling [57] was done at the end, and in all tables, the quantum states are labeled by the leading LS-percentage composition.…”

Section: Relativistic Multiconfiguration Calculationsmentioning

confidence: 99%

MCDHF Calculations and Beam-Foil EUV Spectra of Boron-Like Sodium Ions (Na VII)

Jönsson

Ekman

Trabert

2015

Atoms

View full text Add to dashboard Cite

Atomic data, such as wavelengths and line identifications, are necessary for many applications, especially in plasma diagnostics and for interpreting the spectra of distant astrophysical objects. The number of valence shell electrons increases the complexity of the computational problem. We have selected a five-electron ion, Na 6+(with the boron-like spectrum Na VII), for looking into the interplay of measurement and calculation. We summarize the available experimental work, perform our own extensive relativistic configuration interaction (RCI) computations based on multi-configuration Dirac-Hartree-Fock (MCDHF) wave functions, and compare the results to what is known of the level structure. We then discuss problems with databases that have begun to combine observations and computations.

show abstract

Energies, wavelengths, and transition rates for Ge-like Mo, Ru, and Rh ions

Sun

Jiang

2019

Indian J Phys

View full text Add to dashboard Cite

LS–jj transformation matrices for a shell of equivalent electrons

Cited by 57 publications

References 8 publications

Ab initiocalculations of crystal-field for actinide dioxides

Ab initiocalculations of crystal-field for actinide dioxides

MCDHF Calculations and Beam-Foil EUV Spectra of Boron-Like Sodium Ions (Na VII)

Energies, wavelengths, and transition rates for Ge-like Mo, Ru, and Rh ions

Contact Info

Product

Resources

About