9 Permutation-Group Symmetry

2021 ◽  
pp. 248-291
Molecules ◽  
2021 ◽  
Vol 26 (15) ◽  
pp. 4524
Author(s):  
Marco Antonio Chaer Nascimento

VB and molecular orbital (MO) models are normally distinguished by the fact the first looks at molecules as a collection of atoms held together by chemical bonds while the latter adopts the view that each molecule should be regarded as an independent entity built up of electrons and nuclei and characterized by its molecular structure. Nevertheless, there is a much more fundamental difference between these two models which is only revealed when the symmetries of the many-electron Hamiltonian are fully taken into account: while the VB and MO wave functions exhibit the point-group symmetry, whenever present in the many-electron Hamiltonian, only VB wave functions exhibit the permutation symmetry, which is always present in the many-electron Hamiltonian. Practically all the conflicts among the practitioners of the two models can be traced down to the lack of permutation symmetry in the MO wave functions. Moreover, when examined from the permutation group perspective, it becomes clear that the concepts introduced by Pauling to deal with molecules can be equally applied to the study of the atomic structure. In other words, as strange as it may sound, VB can be extended to the study of atoms and, therefore, is a much more general model than MO.


Author(s):  
Douglas L. Dorset ◽  
Barbara Moss

A number of computing systems devoted to the averaging of electron images of two-dimensional macromolecular crystalline arrays have facilitated the visualization of negatively-stained biological structures. Either by simulation of optical filtering techniques or, in more refined treatments, by cross-correlation averaging, an idealized representation of the repeating asymmetric structure unit is constructed, eliminating image distortions due to radiation damage, stain irregularities and, in the latter approach, imperfections and distortions in the unit cell repeat. In these analyses it is generally assumed that the electron scattering from the thin negativelystained object is well-approximated by a phase object model. Even when absorption effects are considered (i.e. “amplitude contrast“), the expansion of the transmission function, q(x,y)=exp (iσɸ (x,y)), does not exceed the first (kinematical) term. Furthermore, in reconstruction of electron images, kinematical phases are applied to diffraction amplitudes and obey the constraints of the plane group symmetry.


Author(s):  
Raja Subramanian ◽  
Kenneth S. Vecchio

The structure of stacking faults and partial dislocations in iron pyrite (FeS2) have been studied using transmission electron microscopy. Pyrite has the NaCl structure in which the sodium ions are replaced by iron and chlorine ions by covalently-bonded pairs of sulfur ions. These sulfur pairs are oriented along the <111> direction. This covalent bond between sulfur atoms is the strongest bond in pyrite with Pa3 space group symmetry. These sulfur pairs are believed to move as a whole during dislocation glide. The lattice structure across these stacking faults is of interest as the presence of these stacking faults has been preliminarily linked to a higher sulfur reactivity in pyrite. Conventional TEM contrast analysis and high resolution lattice imaging of the faulted area in the TEM specimen has been carried out.


2013 ◽  
Vol 50 (2) ◽  
pp. 258-265
Author(s):  
Pál Hegedűs

In this paper we analyse the natural permutation module of an affine permutation group. For this the regular module of an elementary Abelian p-group is described in detail. We consider the inequivalent permutation modules coming from nonconjugate complements. We prove their strong structural similarity well exceeding the fact that they have equal Brauer characters.


2020 ◽  
Author(s):  
Xiaojing Xia ◽  
Anupum Pant ◽  
Xuezhe Zhou ◽  
Elena Dobretsova ◽  
Alex Bard ◽  
...  

Fluoride crystals, due to their low phonon energies, are attractive hosts of trivalent lanthanide ions for applications in upconverting phosphors, quantum information science, and solid-state laser refrigeration. In this article, we report the rapid, low-cost hydrothermal synthesis of potassium lutetium fluoride (KLF) microcrystals for applications in solid-state laser refrigeration. Four crystalline phases were synthesized, namely orthorhombic K<sub>2</sub>LuF<sub>5</sub> (Pnma), trigonal KLuF<sub>4</sub> (P3<sub>1</sub>21), orthorhombic KLu<sub>2</sub>F<sub>7</sub> (Pna2<sub>1</sub>), and cubic KLu<sub>3</sub>F<sub>10</sub> (Fm3m), with each phase exhibiting unique microcrystalline morphologies. Luminescence spectra and emission lifetimes of the four crystalline phases were characterized based on the point-group symmetry of trivalent cations. Laser refrigeration was measured by observing both the optomechanical eigenfrequencies of microcrystals on cantilevers in vacuum, and also the Brownian dynamics of optically trapped microcrystals in water. Among all four crystalline phases, the most significant cooling was observed for 10%Yb:KLuF<sub>4</sub> with cooling of 8.6 $\pm$ 2.1 K below room temperature. Reduced heating was observed with 10%Yb:K<sub>2</sub>LuF<sub>5</sub>


2021 ◽  
pp. 1-40
Author(s):  
NICK GILL ◽  
BIANCA LODÀ ◽  
PABLO SPIGA

Abstract Let G be a permutation group on a set $\Omega $ of size t. We say that $\Lambda \subseteq \Omega $ is an independent set if its pointwise stabilizer is not equal to the pointwise stabilizer of any proper subset of $\Lambda $ . We define the height of G to be the maximum size of an independent set, and we denote this quantity $\textrm{H}(G)$ . In this paper, we study $\textrm{H}(G)$ for the case when G is primitive. Our main result asserts that either $\textrm{H}(G)< 9\log t$ or else G is in a particular well-studied family (the primitive large–base groups). An immediate corollary of this result is a characterization of primitive permutation groups with large relational complexity, the latter quantity being a statistic introduced by Cherlin in his study of the model theory of permutation groups. We also study $\textrm{I}(G)$ , the maximum length of an irredundant base of G, in which case we prove that if G is primitive, then either $\textrm{I}(G)<7\log t$ or else, again, G is in a particular family (which includes the primitive large–base groups as well as some others).


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