Ab initio theoretical comparative study of magnetic coupling in KNiF3 and K2NiF4s

The origin of magnetic coupling in KNiF3 and K2 NiF4 is studied by means of an ab initio cluster model approach. By a detailed study of the mapping between eigenstates of the exact nonrelativistic and spin model Hamiltonians it is possible to obtain the magnetic coupling constant J and to compare ab initio cluster-model values with those resulting from ab initio periodic Hartree-Fock calculations. This comparison shows that J is strongly determined by two-body interactions; this is a surprising and unexpected result. The importance of the ligands surrounding the basic metal-ligand-metal interacting unit is reexamined by using two different partitions and the constrained space orbital variation method of analysis. This decomposition enables us to show that this effect is basically environmental. Finally, dynamical electronic correlation effects have found to be critical in determining the final value of the magnetic coupling constant.

Theoretical approach to the magnetostructural correlations in spin-Peierls compound CuGeO3

A theoretical density-functional study has been carried out to analyze the exchange coupling in the chains of CuGeO3 using discrete models. The results show a good agreement with the experimental exchange coupling constant (J) together with a strong dependence of J with the Cu-O-Cu angle. The calculation of the J values for a distorted model indicates a larger degree of dimerization than those reported previously.

Theoretical modeling of photon and electron-stimulated Na and K desorption from SiO2

The mechanism of generation of atomic Na and K from SiO2 samples has been studied using explicitly correlated wave function and density functional theory cluster calculations. Possible pathways for the photon and electron stimulated desorption of Na and K atoms from silicates are proposed, thus providing new insight on the generation of the tenuous Na and K atmosphere of the Moon.

”Nonlinear optical properties of polymers containing azomesogens and chiral molecules: theoretical and experimental evaluations."

The present work emphasizes the use of chirality as an efficient tool to synthesize new types of second order nonlinear materials. Second harmonic generation efficiency (SHG) is used as a measure of second order nonlinear response. Nonlinear optical properties of polymers have been studied theoretically and experimentally. Polymers were designed theoretically by ab initio and semiempirical calculations. All the polymeric systems have been synthesized by condensation polymerization. Second harmonic generation efficiency of the synthesized systems has been measured experimentally by Kurtz and Perry powder method

Strongly distance-balanced graphs and graph products

A graph G is strongly distance-balanced if for every edge uv of G and every i 0 the number of vertices x with d.x; u/ D d.x; v/ 1 D i equals the number of vertices y with d.y; v/ D d.y; u/ 1 D i. It is proved that the strong product of graphs is strongly distance-balanced if and only if both factors are strongly distance-balanced. It is also proved that connected components of the direct product of two bipartite graphs are strongly distancebalanced if and only if both factors are strongly distance-balanced. Additionally, a new characterization of distance-balanced graphs and an algorithm of time complexity O.mn/ for their recognition, wheremis the number of edges and n the number of vertices of the graph in question, are given

Median Sets and Median Number of a Graph

A profile is a finite sequence of vertices of a graph. The set of all vertices of the graph which minimises the sum of the distances to the vertices of the profile is the median of the profile. Any subset of the vertex set such that it is the median of some profile is called a median set. The number of median sets of a graph is defined to be the median number of the graph. In this paper, we identify the median sets of various classes of graphs such as Kp − e, Kp,q forP > 2, and wheel graph and so forth. The median numbers of these graphs and hypercubes are found out, and an upper bound for the median number of even cycles is established.We also express the median number of a product graph in terms of the median number of their factors.

On The Center Sets and Center Numbers of Some Graph Classes

For a set S of vertices and the vertex v in a connected graph G, max x2S d(x, v) is called the S-eccentricity of v in G. The set of vertices with minimum S-eccentricity is called the S-center of G. Any set A of vertices of G such that A is an S-center for some set S of vertices of G is called a center set. We identify the center sets of certain classes of graphs namely, Block graphs, Km,n, Kn −e, wheel graphs, odd cycles and symmetric even graphs and enumerate them for many of these graph classes. We also introduce the concept of center number which is defined as the number of distinct center sets of a graph and determine the center number of some graph classes

Automatic Image Annotation Using SURF Descriptors

In recent years there is an apparent shift in research from content based image retrieval (CBIR) to automatic image annotation in order to bridge the gap between low level features and high level semantics of images. Automatic Image Annotation (AIA) techniques facilitate extraction of high level semantic concepts from images by machine learning techniques. Many AIA techniques use feature analysis as the first step to identify the objects in the image. However, the high dimensional image features make the performance of the system worse. This paper describes and evaluates an automatic image annotation framework which uses SURF descriptors to select right number of features and right features for annotation. The proposed framework uses a hybrid approach in which k-means clustering is used in the training phase and fuzzy K-NN classification in the annotation phase. The performance of the system is evaluated using standard metrics.

The Effect of SIFT Features as Content Descriptors in the Context of Automatic Writer Identification in Malayalam Language

The span of writer identification extends to broad domes like digital rights administration, forensic expert decisionmaking systems, and document analysis systems and so on. As the success rate of a writer identification scheme is highly dependent on the features extracted from the documents, the phase of feature extraction and therefore selection is highly significant for writer identification schemes. In this paper, the writer identification in Malayalam language is sought for by utilizing feature extraction technique such as Scale Invariant Features Transform (SIFT).The schemes are tested on a test bed of 280 writers and performance evaluated

State-of-the-Art: Transformation Invariant Descriptors

As the popularity of digital videos increases, a large number illegal videos are being generated and getting published. Video copies are generated by performing various sorts of transformations on the original video data. For effectively identifying such illegal videos, the image features that are invariant to various transformations must be extracted for performing similarity matching. An image feature can be its local feature or global feature. Among them, local features are powerful and have been applied in a wide variety of computer vision aplications .This paper focuses on various recently proposed local detectors and descriptors that are invariant to a number of image transformations.

Developing a Theoretical Framework for a Study on the Impact of Advertising Credibility of Consumer Healthcare Products

The tough competition in the global and national markets and new trends in consumerism resulted in an increase in the volume of advertisements. Sometimes advertisers are successful in achieving their intended objectives with a particular advertisement and sometimes they are not .These factors contributed a lot towards the decision making problems of advertising agencies with regard to the selection of appropriate advertising strategies and tactics. The tough competition and large volume of advertising make the consumers confused and this even created doubts in the minds of consumers about the genuineness and reliability of manufacturers and products. These factors caused a query regarding the active role of credibility element in advertising. The proposed study examines the effects of advertising credibility in consumer health care non durable product advertising on communication effect, purchase behavior and ad skepticism. This paper examines the need for the study of advertising credibility and reviews the advertising- consumer behaviour- credibility – healthcare theories which form a basis for the study. It identifies the different components and dimensions of advertising credibility and the importance of communication effect, purchase behavior and ad skepticism. It also studies the relevance of credibility in the consumer healthcare products advertising and suggests a Theoretical Framework for the proposed study

Theoretical investigations of an annular elliptical ring microstrip antenna using Green‘s function technique

Analytical expressions for the Green’s function of an annular elliptical ring microstrip antenna (AERMA) are developed and reported. The modal, radiation and input impedance characteristics of the TM, modes are determined from these expressions. The resonant frequencies of odd modes are greater than that of the even modes for all TMnl modes (n = 1, 2, 3, ...) udke elliptical microstrip structures. The radiation pattern and input imedance curves of TMI2 mode on comparison with available experimental result shows good agreement whch provides an independent validation to this technique. The performance of the AERMA is then investigated as a function of thickness and substrate dielectric permittivity.

Emotional Intelligence As A Determinant Of Conflict Style Adoption Of Managers: A Theoretical Perspective

Successful management is dependent heavily on the manager’s ability to handle conflict effectively. The workforce has been increasingly becoming diversified vis-à-vis the gender, culture and ethnicity. The present work environment has in itself contributed to sowing seeds of conflict with greater diversity, hostility, complexity and newer business competencies in the work context.The classic study of Mintzberg’s Managerial roles approach (1973) also says that a manager has to spend sufficient time and energy in solving conflict as he has to take roles as a negotiator, and dispute handler. An understanding of the conflict and role that it plays in influencing employee behavior constructively or destructively is immense. Therefore conflict when left unmanaged can lead to diminished cohesiveness amongst employees, productivity and reduced organizational fitness. To manage conflict effective conflict resolution strategies that have constructive outcomes is called for. Conflict resolution style theorists opine that collaborative or integrative style, where there is high concern for task and people is considered to give positive individual and organizational outcomes, while the withdrawing /avoidance style and forcing / dominating style are considered to be ineffective in managing conflict. Though managers have typical preferences in the styles followed it need not necessarily be the typical response as it depends on the context, power relationships, emotions etc. The adoption of conflict styles of managers however is dependent on variables like gender orientation, cultural values, personality orientation, underlying relationships – public/private. The paper attempts to draw the importance of managing conflicts at workplace positively and the need for effective conflict resolution strategies. The conflict style adopted and the variables that affect the adoption of each style are discussed and possible interventions at the workplace are suggested

Theoretical Design and Synthesis of Donor-Acceptor Conjugated Polymers for Photovoltaic and NLO Applications

Polymers with conjugated π-electron backbone display unusual electronic properties such as low energy optical transition, low ionization potentials, and high electron affinities. The properties that make these materials attractive include a wide range of electrical conductivity, mechanical flexibility and thermal stability. Some of the potential applications of these conjugated polymers are in sensors, solar cells, field effect transistors, field emission and electrochromic displays, supercapacitors and energy storage. With recent advances in the stability of conjugated polymer materials, and improved control of properties, a growing number of applications are currently being explored. Some of the important applications of conducting polymers include: they are used in electrostatic materials, conducting adhesives, shielding against electromagnetic interference (EMI), artificial nerves, aircraft structures, diodes, and transistors.