Slater type orbitals were used to construct the overlap and the Hamiltonian core matrices; we also found the values of the bi-electron repulsion integrals. The Hartree Fock Roothaan approximation process starts with setting an initial guess value for the elements of the density matrix; with these matrices we constructed the initial Fock matrix.…

Matrix diagonalization, the key technique at the heart of modern computational chemistry for the numerical solution of the Schrödinger equation, can be easily introduced in the physical chemistry curriculum in a pedagogical context using simple Hückel molecular orbital theory for p bonding in molecules. We present details and results of…

The discrimination between alternative models and the detection of latent classes in the context of latent variable mixture modeling depends on sample size, class separation, and other aspects that are related to power. Prior to a mixture analysis it is useful to investigate model performance in a simulation study that reflects the research…

The reciprocal method of service department cost allocation requires linear equations to be solved simultaneously. These computations are often so complex as to cause the abandonment of the reciprocal method in favor of the less sophisticated direct or step-down methods. Here is a short example demonstrating how Excel's sometimes unknown matrix…

Following an introduction to the diagonalization of matrices, one of the more difficult topics for students to grasp in linear algebra is the concept of Jordan normal form. In this note, we show how the important notions of diagonalization and Jordan normal form can be introduced and developed through the use of the computer algebra package…

When we use technology to teach mathematics, we hope to focus on the mathematics, restricting the computer software systems to providing support for our pedagogy. It is a matter of common experience, however, that students can become distracted or frustrated by the quirks of the particular software system being used. Here, experience using the…

The use of digital elevation models, which represent the surface of the earth by a matrix of heights, has proved an ideal introductory topic for developing both the matrix-handling and computational skills of undergraduate mathematicians. This article looks at the solving of an easily understandable, but not necessarily simple problem: given a…

Many researchers acknowledge the prominent role that factor analysis can play in efforts to establish construct validity. Data can be analyzed with no preconceived ideas about the underlying constructs of structure of the data. This approach is exploratory factor analysis, Another approach is used when the researcher has an understanding of the…

The study of confusion data is a well established practice in psychology. Although many types of analytical approaches for confusion data are available, among the most common methods are the extraction of 1 or more subsets of stimuli, the partitioning of the complete stimulus set into distinct groups, and the ordering of the stimulus set. Although…

Considers models incorporating principal components from the perspectives of structural-equation modeling. These models include the following: (1) the principal-component analysis of patterned matrices; (2) multiple analysis of variance based on principal components; and (3) multigroup principal-components analysis. Discusses fitting these models…

Exploratory factor analysis (EFA) is a frequently used multivariate analysis technique in statistics. Jennrich and Sampson (1966) solved a significant EFA factor loading matrix rotation problem by deriving the direct Quartimin rotation. Jennrich was also the first to develop standard errors for rotated solutions, although these have still not made…

For over a decade it has been a common observation that a "fog" passes over the course in linear algebra once abstract vector spaces are presented. See [2, 3]. We show how this fog may be cleared by having the students translate "abstract" vector-space problems to isomorphic "concrete" settings, solve the "concrete" problem either by hand or with…

A general description of microcomputer-based spreadsheet software capabilities and their usefulness in library management analysis and planning are presented. Five specific spreadsheet models which apply to retrospective conversion cost and scheduling, COM and book catalog costs, and acquistions processing costs are discussed and displayed in…

The technique of clustering facilitates constructivist investigation in counseling research and clinical counseling sessions. Clients can be helped to put difficult-to-verbalize feelings into words. Having clients collaborate in configuring the rich but chaotic data renders that data amenable to matrix analysis. Recently developed computer…

This note describes a method for evaluating the sums of the m -th powers of n consecutive terms of a general arithmetic sequence: { S[subscript m] = 0, 1, 2,...}. The method is based on the use of a differential operator that is repeatedly applied to a generating function. A known linear recurrence is then obtained and the m-th sum, S[subscript…