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This study uses surveys to assess student academic success in relation to the teaching activity of the University staff. The main goal is to test how the student’s degree of satisfaction of with their teachers can be considered dependent on the success the student obtains in each subject. The results show that the students are more satisfied with their teaching when they have a higher rate of success, although in some optional courses, the degree of satisfaction diminishes with the higher rate of success. The course expectations, when defined by the difference between achievement and success, impact the student satisfaction with the teaching. Este trabajo pretende dar a conocer en qué medida la satisfacción del alumnado con la docencia recibida en la Universidad de Oviedo se puede considerar dependiente del éxito obtenido en la correspondiente asignatura. Los resultados muestran que los estudiantes están más satisfechos con la docencia en aquellas asignaturas que tienen mayor porcentaje de éxito si bien, en las asignaturas optativas la satisfacción decrece con los valores de éxito más altos. La expectativa, definida por el ajuste entre estudiantes matriculados y aprobados, influye en la satisfacción con la enseñanza recibida

The numerical and analytical procedures, used for calculating exchange integrals with Slater functions, fail to give high accuracy for large quantum numbers and some values of the parameters. We propose here an algorithmic approach based on recurrence relations which start from some simple functions. An extensive study in which exponents, interatomic distances, and quantum numbers were varied proves that the new procedure is fully reliable. Finally, the cost of the procedure is analyzed, including the effect of the number of terms needed to attain a given accuracy. © 1994 American Institute of Physics. [ABSTRACT FROM AUTHOR]

A new algorithm for the calculation of molecular integrals involving STOs is reported. The algorithm enables us to obtain every two-center one-electron integral and the long-range many-center one- and two-electron integrals. The efficient implementation of the algorithm is discussed and its performance is thoroughly tested. The analysis on the stability of the relations employed in the calculation of multipolar moments is included. Futhermore, the computer time required to carry out each step (construction of basic matrices, calculation of multipolar moments, and calculation of two-electron integrals) has also been analyzed. The range of validity of this approach is shown in several molecular integrals. [ABSTRACT FROM AUTHOR]

A method for the calculation of many-center integrals involving Slater-type orbitals (STOs) is reported. The method is based on the separation of the short- and long-range terms of the potentials generated by charge distributions. The calculation of three-center nuclear attraction integrals and many-center electron repulsion integrals, when the short-range contributions are negligible, is formulated in terms of multipolar moments of charge distributions. Recurrence relations for obtaining the multipolar moments, which enable us to reduce their calculations to the evaluation of some basic integrals, are reported. [ABSTRACT FROM AUTHOR]

This study uses surveys to assess student academic success in relation to the teaching activity of the University staff. The main goal is to test how the student's degree of satisfaction of with their teachers can be considered dependent on the success the student obtains in each subject. The results show that the students are more satisfied with their teaching when they have a higher rate of success, although in some optional courses, the degree of satisfaction diminishes with the higher rate of success. The course expectations, when defined by the difference between achievement and success, impact the student satisfaction with the teaching. [ABSTRACT FROM AUTHOR]

A direct relationship is established between the degree of fulfillment of the Hellman-Feynman (electrostatic) theorem, measured as the difference between energy derivatives and electrostatic forces, and the stability of the basis set, measured from the indices that characterize the distance of the space generated by the basis functions to the space of their derivatives with respect to the nuclear coordinates. On the basis of this relationship, a criterion for obtaining basis sets of moderate size with a high degree of fulfillment of the theorem is proposed. As an illustrative application, previously reported Slater basis sets are extended by using this criterion. The resulting augmented basis sets are tested on several molecules finding that the differences between energy gradient and electrostatic forces are reduced by at least one order of magnitude. © 2007 Wiley Periodicals, Inc. J Comput Chem 28: 748–758, 2007 [ABSTRACT FROM AUTHOR]

Abstract: The analytical representation of the molecular density previously developed for Slater functions (J. Fernández Rico, R. López, G. Ramírez, I. Ema, E. Ludeña, J. Comput. Chem. 25 (2004) 1355–1363) is extended to the densities obtained with Gaussian functions. Our tests show a quick convergence of the atomic expansion and a very high efficiency of the algorithm developed for the practical implementation of the procedure. These points are illustrated with the analysis of the density and the calculation of the electrostatic potential and field lines of the 4-amino pyridine. [Copyright &y& Elsevier]

The calculation of the electronic structure of large systems is facilitated by the substitution of the two-center distributions by their projections on auxiliary basis sets of one-center functions. An alternative is the partition-expansion method in which one first decides what part of the distribution is assigned to each center, and next expands each part in spherical harmonics times radial factors. The method is exact, requires neither auxiliary basis sets nor projections, and can be applied to Gaussian and Slater basis sets. Two improvements in the partition-expansion method for Slater functions are reported: general expressions valid for arbitrary quantum numbers are derived and the efficiency of the procedure is increased giving analytical solutions to integrals previously computed by numerical quadrature. The efficiency of the new version is assessed in several molecules and the advantages over the projection methods are pointed out., (Copyright © 2013 Wiley Periodicals, Inc.)

A reinterpretation of the Boyd-Coulson [R. J. Boyd and C. A. Coulson, J. Phys. B 7, 1805 (1974)] definition of the Fermi hole is presented. Through this reinterpretation, which makes no reference to the hypothetical Hartree level, we are able to show the essentially identical character of the Boyd-Coulson definition with the one based on a conditional probability analysis. The basis-set dependence of the Fermi hole is emphasized and the effect of canonical, localized and delocalized Kohn-Sham and Hartree-Fock basis sets is examined for selected atoms and molecules., ((c) 2004 American Institute of Physics)