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Digitale Medien

Interplay of pairing and quadrupole correlations in deformed nuclei (1993)

Gallardo, M. I. ; Lenzi, S. M. ; Vitturi, A.

Springer

The European physical journal 346 (1993), S. 269-274

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Details

ISSN: 1434-601X

Schlagwort(e): 21.60.-n ; 25.70.Hi

Quelle: Springer Online Journal Archives 1860-2000

Thema: Physik

Notizen: Abstract We study pairing correlations in deformed nuclei in the framework of the Nilsson+BCS theory. As in the spherical case, the pairing interaction is found to induce strong spacial correlations between the partners of each paired couple. The presence of the deformed mean field gives rise to a non-spherical pair field, whose deformation is governed by the properties of a few single-particle orbitals around the Fermi surface and does not necessarily follow the shape of the mean field. Multipole expansion of the pair field yields all the pair densities associated with the direct two-particle transfer processes to the members of the g.s. rotational band in the A+2 system. The interplay of the deformations of the mean and the pair fields can lead to different relative magnitudes and phases of these densities and therefore to different excitation patterns of the rotational bands in two-particle transfer reactions. In the case of non-collective twoquasiparticles and bands the associated pair densities display large components with high multipoles and the associated transfer processes may be favoured in heavy-ion collisions by kinematical conditions. Examples corresponding to both prolate and oblate cases are considered.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1007/BF01292516

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Digitale Medien

A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape (1996)

Grant, J. A. ; Gallardo, M. A. ; Pickup, B. T.

New York, NY [u.a.] : Wiley-Blackwell

Journal of Computational Chemistry 17 (1996), S. 1653-1666

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ISSN: 0192-8651

Schlagwort(e): Chemistry ; Theoretical, Physical and Computational Chemistry

Quelle: Wiley InterScience Backfile Collection 1832-2000

Thema: Chemie und Pharmazie , Informatik

Notizen: A Gaussian description of molecular shape is used to compare the shapes of two molecules by analytically optimizing their volume intersection. The method is applied to predict the relative orientation of ligand series binding to the proteins, thrombin, HIV protease, and thermolysin. The method is also used to quantify the degree of chirality of asymmetric molecules and to investigate the chirality of biphenyl and the amino acids. The shape comparison method uses the newly described shape multipoles that can also be used to describe the inherent shape of molecules. Some results of calculated shape quadrupoles are given for the ligands used in this work. © 1996 by John Wiley & Sons, Inc.

Zusätzliches Material: 4 Ill.