Quadrupole moments andE2transition rates in the Zr region with wave functions of the broken pair approximation

1980 ◽  
Vol 21 (3) ◽  
pp. 1124-1127 ◽  
Author(s):  
Y. K. Gambhir ◽  
S. Haq ◽  
J. K. Suri

A perturbation calculation, valid in the limit of large separations, of various properties of the 2 pπ state of HeH 2+ is carried out. The total energy and the kinetic and potential energies are calculated to the fifth order, the dipole moment to the third order and the quadrupole moments to the second order and the results compared with those obtained using exact and variationally determined two-centre wave functions. Some results are also given for the 2 pπ u and 3 dπ g states of H + 2 and the influence of nuclear symmetry at large separations is briefly discussed.


The wave functions for a number of particles in a degenerate oscillator level, classified in part I according to irreducible representations of the group U 3 , are expressed as integrals of the Hill-Wheeler type over intrinsic states. The rotational band structure which appeared in the classification is now understood, since all states of a band are shown to involve the same intrinsic state in the integral. It is possible to use the quantum number K of the intrinsic states as an additional label for the final wave functions, thus distinguishing states which, in the classification of part I, had the same values for all other quantum numbers used. The integral form for the wave functions enables simple expressions to be obtained for the quadrupole moments which resemble those of the rotational model for a permanent deformation.


1972 ◽  
Vol 50 (8) ◽  
pp. 740-748 ◽  
Author(s):  
L. E. H. Trainor ◽  
R. J. Turner ◽  
Genevieve Tam ◽  
L. Rosen

The importance of major shell mixing in Nilsson's model is discussed with reference to calculations using Nilsson wave functions as a basis set. In particular it is shown that the N-mixing terms play an essential role in shaping the density distribution and are of paramount importance in determining electric quadrupole moments. Our calculations also suggest that for each choice of deformation parameter there is an associated characteristic "shell structure".


2019 ◽  
Vol 35 (09) ◽  
pp. 2050050
Author(s):  
Laleh Nickhah ◽  
Ali Akbar Rajabi ◽  
Majid Hamzavi

In this paper, we examine the distribution of nuclei’s charge (the quadrupole moment of nuclei) for stable nuclei with [Formula: see text] when interacting with the [Formula: see text]O nuclei. The interaction potential between the nuclei was achieved using the double-folding method. The wave functions of the interacting nuclei were replaced by the density functions in the double-folding model. The wave functions of the interacting nuclei were obtained through the D-dimensional Schrödinger equation with the pseudo-Coulomb potential plus ring-shaped potential by the Nikiforov–Uvarov solution method.


A perturbation calculation, valid in the limit of large separations, of various properties of the 1 s σ and 2 p σ states of HeH 2+ is carried out. The total energy and the kinetic and potential energies are calculated to the fifth order, the dipole moments to the third order and the quadrupole moments to the second order. The results are compared with those obtained using exact and variationally determined two-centre wave functions and also with those obtained from an approximate application of perturbation theory and it is shown that perturbation calculations of molecular properties are capable of high accuracy over a wide range of nuclear separations.


1974 ◽  
Vol 29 (6) ◽  
pp. 924-932 ◽  
Author(s):  
E. Hamer ◽  
L. Engelbrecht ◽  
D. H. Sutter

A method is proposed to obtain ground state expectation values for the sums of the squares of the electron coordinates i.e . from INDO-wavefunctions. This leads to molecular quadrupole moments which are in close agreement with experimental values from investigations of the rotational Zeeman-effect. In combination with rotational Zeemaneffect data etc. can be used to predict gas-phase bulk susceptibilities and to determine the sign of the molecular g-tensor.


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