First derivatives of correlated wave functions by a matrix-oriented method: Preliminary application to molecular dipole and quadrupole moments

1985 ◽  
Vol 28 (3) ◽  
pp. 411-417 ◽  
Author(s):  
Paul G. Jasien ◽  
Clifford E. Dykstra
Keyword(s):  
Wave Functions ◽  
Quadrupole Moments ◽  
Molecular Dipole ◽  
Derivatives Of ◽  
Preliminary Application

A perturbation calculation of properties of the 2 pπ state of HeH 2+

1957 ◽  
Vol 240 (1221) ◽  
pp. 274-283 ◽  
Keyword(s):  
Dipole Moment ◽  
Total Energy ◽  
Second Order ◽  
Wave Functions ◽  
Quadrupole Moments ◽  
Perturbation Calculation ◽  
Third Order ◽  
The Third ◽  
Fifth Order ◽  
Kinetic And Potential Energies

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.

Collective motion in the nuclear shell model II. The introduction of intrinsic wave-functions

1958 ◽  
Vol 245 (1243) ◽  
pp. 562-581 ◽  
Keyword(s):  
Collective Motion ◽  
Permanent Deformation ◽  
Integral Form ◽  
Wave Functions ◽  
Quadrupole Moments ◽  
Rotational Model ◽  
Quantum Numbers ◽  
The Hill ◽  
Nuclear Shell

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.

Time-dependent variational principle and self-consistent field equations

1985 ◽  
Vol 98 (2) ◽  
pp. 373-379 ◽  
Author(s):  
V. U. Nazarov
Keyword(s):  
Variational Principle ◽  
Wave Functions ◽  
Time Dependent ◽  
Quantum Mechanical ◽  
Field Equations ◽  
Consistent Field ◽  
Self Consistent Field ◽  
The One ◽  
The Given ◽  
Derivatives Of

In this paper a quantum-mechanical variational principle is proposed, in which the functional varied is the precision, with which the time-dependent Schrödinger equation is satisfied by the wave functions of the given class. Another distinctive feature of our approach is that the independently varied functions are the time derivatives of the one-particle wave functions, of which the wave function of the system is constructed.

On the Role of N Mixing in Nuclear Problems using Nilsson's Model

1972 ◽  
Vol 50 (8) ◽  
pp. 740-748 ◽  
Author(s):  
L. E. H. Trainor ◽  
R. J. Turner ◽  
Genevieve Tam ◽  
L. Rosen
Keyword(s):  
Density Distribution ◽  
Shell Structure ◽  
Essential Role ◽  
Deformation Parameter ◽  
Electric Quadrupole ◽  
Wave Functions ◽  
Basis Set ◽  
Quadrupole Moments ◽  
Major Shell

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".

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