Generalized quantum similarity index: An application to pseudoharmonic oscillator with isospectral potentials in 3D

2020 ◽  
Author(s):  
Piu Ghosh ◽  
Debraj Nath
Keyword(s):  
Similarity Index ◽  
Quantum Similarity ◽  
Pseudoharmonic Oscillator

HÜCKEL TREATMENT OF PYRROLE AND PENTALENE AS A FUNCTION OF CYCLOPENTADIENYL USING LOCAL QUANTUM SIMILARITY INDEX (LQSI) AND THE TOPO-GEOMETRICAL SUPERPOSITION APPROACH (TGSA)

2012 ◽  
Vol 11 (01) ◽  
pp. 223-239 ◽  
Author(s):  
ALEJANDRO MORALES-BAYUELO ◽  
JUAN TORRES ◽  
RICARDO VIVAS-REYES
Keyword(s):  
Density Functional ◽  
Similarity Index ◽  
Orbital Energy ◽  
Quantum Similarity ◽  
Local Similarity ◽  
Conceptual Density Functional Theory ◽  
Ring Systems ◽  
Molecular Systems ◽  
Hückel Method ◽  
A New Technique

In this paper some of the characteristic of Hückel method, were exploited in order to obtain some important results, through a new technique with which it is possible to obtain non-degenerate characteristic values as in the case of pyrrole and allowing the expression of conjugated ring systems (Pentalene) as function of a system of diene monomer (Cyclopentadienyl). The local similarity index based on the Hirshfeld partitioning in the framework of conceptual Density Functional Theory (DFT), was introduced in the secular determinant of the Hückel method and was applied to Pyrrole molecule in order to express their orbital energies as a function of the orbital energy of Cyclopentadienyl, to express the energies of molecular orbitals of the Cyclopentadienyl as a function of Pentalene, resolved by the Hückel method and applied to Cyclopentadienyl, by means of six local similarity index: Overlap, Overlap-Interaction, Coulomb, Coulomb-Interaction, with their respective Euclidean distances, using the Topo-Geometrical Superposition Approach (TGSA) as a method of alignment, which allowed us to obtain good results in local similarity indices. This technique will permit the study of some molecular systems that differ in one atom in its molecular structure, resolving the Hückel method for the Pyrrole and Thiophene system without taking into account the considerations with its neighboring atoms. This proposed technique reduces the symmetry of fused ring systems which are Cyclopentadienyl derivatives, allowing to express the orbital energy of a diene dimmer (Pentalene) as a function of diene monomer systems, creating a tool of calculation to solve the problem of obtaining non-degenerate values in systems where the approximations in the Hückel method approximation provide degenerate values and providing a symmetry reduction technique.

scholarly journals Generalized Quantum Similarity Index: Applications in atoms

2011 ◽  
Vol 506 (4-6) ◽  
pp. 326-331 ◽  
Author(s):  
P.A. Bouvrie ◽  
J. Antolín ◽  
J.C. Angulo
Keyword(s):  
Similarity Index ◽  
Quantum Similarity

A Test of Three Sadism Measures

2020 ◽  
Vol 41 (4) ◽  
pp. 219-227 ◽  
Author(s):  
Bojana M. Dinić ◽  
Tara Bulut Allred ◽  
Boban Petrović ◽  
Anja Wertag
Keyword(s):  
Item Response ◽  
Social Groups ◽  
Similarity Index ◽  
Dark Triad ◽  
Hierarchical Regression ◽  
Fit Indices ◽  
Profile Similarity ◽  
Positive Attitudes ◽  
Confirmatory Factor ◽  
Positive Correlations

Abstract. The aim of this study was to evaluate psychometric properties of three sadism scales: Short Sadistic Impulse Scale (SSIS), Varieties of Sadistic Tendencies (VAST, which measures direct and vicarious sadism), and Assessment of Sadistic Personality (ASP). Sample included 443 participants (50.1% men) from the general population. Reliability based on internal consistency of all scales was good, and results of Confirmatory Factor Analysis (CFA) showed that all three scales had acceptable fit indices for the proposed structure. Results of Item Response Theory (IRT) analysis showed that all three scales had higher measurement precision (information) in above-average scores. Validity of the scales was supported through moderate to high positive correlations with the Dark Triad traits, especially psychopathy, as well as positive correlations with aggressiveness and negative with Honesty-Humility. Moreover, results of hierarchical regression analysis showed that all three measures of direct, but not vicarious sadism, contributed significantly above and beyond other Dark Triad traits to the prediction of increased positive attitudes toward dangerous social groups. The profile similarity index showed that the SSIS and the ASP were highly overlapping, while vicarious sadism seems distinct from other sadism scales.

Carabidae of Barnaul city parks: ecological characteristics and species composition

2018 ◽  
Vol 8 (2) ◽  
pp. 348-353
Author(s):  
E. A. Kuchina ◽  
N. D. Ovcharenko ◽  
L. D. Vasileva
Keyword(s):  
Species Composition ◽  
Diversity Index ◽  
Similarity Index ◽  
Life Forms ◽  
Ground Beetles ◽  
Forest Steppe ◽  
Ecological Groups ◽  
Dominant Group ◽  
Species Diversity Index ◽  
Steppe Species

<p>Anthropogenic impact on the population of ground beetles leads to a change in their numbers, structure of dominance, density, species composition, spectrum of life forms. This makes the beetles Carabidae a convenient and informative bioindicator of the ecological state of biocenoses. The material for this work was the Carabidae collections conducted in June-August 2016-2017 in the park zone of different regions of Barnaul, differing in location, area, hydrological regime, vegetation cover, purpose and anthropogenic load. When processing the material, the quantitative, species and generic composition of the carabidae was determined, calculations were made for such indicators as the Berger-Parker dominance index, the Shannon species diversity index (Hs), and the Jacquard species similarity index. The fauna (Coleoptera, Carabidae) of the park zone of Barnaul is represented by 55 species belonging to 20 genera. The dominant group is represented by species belonging to steppe, forest and polyzonal groups. Forest-steppe species of ground beetles as dominants have not been identified in any of the investigated territories. The greatest variety of ecological groups was noted on the territory of the Yubileyny рark, which is explained by the presence of zones with various microclimatic conditions, the presence of a birch grove that flows through the park with the Pivovarka River, and a wide log in the park. Registered species belong to eight groups of life forms belonging to two classes - zoophagous and myxophytophagous. On the numerical and species abundance, zoophages predominate. The spectrum of life forms corresponds to the zonal spectrum characteristic of the forest-steppe zone.</p><p> </p>

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