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 authors discuss empirically determined competence areas to K-12 computer science education, emphasizing the cognitive level of competence. The results of a questionnaire with 120 professors of computer science serve as a database. By using multi-dimensional scaling and cluster analysis, four competence areas to computer science education…

The Second International Conference on Educational Data Mining (EDM2009) was held at the University of Cordoba, Spain, on July 1-3, 2009. EDM brings together researchers from computer science, education, psychology, psychometrics, and statistics to analyze large data sets to answer educational research questions. The increase in instrumented…

The 7th International Conference on Education Data Mining held on July 4th-7th, 2014, at the Institute of Education, London, UK is the leading international forum for high-quality research that mines large data sets in order to answer educational research questions that shed light on the learning process. These data sets may come from the traces…