Error and complexity of random walk Monte Carlo radiosity

The author studies the error and complexity of the discrete random walk Monte Carlo technique for radiosity, using both the shooting and gathering methods. The author shows that the shooting method exhibits a lower complexity than the gathering one, and under some constraints, it has a linear complexity. This is an improvement over a previous result that pointed to an O(n log n) complexity. The author gives and compares three unbiased estimators for each method, and obtains closed forms and bounds for their variances. The author also bounds the expected value of the mean square error (MSE). Some of the results obtained are also shown

Selected configuration interaction with truncation energy error and application to the Ne atom

Selected configuration interaction (SCI) for atomic and molecular electronic structure calculations is reformulated in a general framework encompassing all CI methods. The linked cluster expansion is used as an intermediate device to approximate CI coefficients BK of disconnected configurations (those that can be expressed as products of combinations of singly and doubly excited ones) in terms of CI coefficients of lower-excited configurations where each K is a linear combination of configuration-state-functions (CSFs) over all degenerate elements of K. Disconnected configurations up to sextuply excited ones are selected by Brown's energy formula, ΔEK=(E-HKK)BK2/(1-BK2), with BK determined from coefficients of singly and doubly excited configurations. The truncation energy error from disconnected configurations, Δdis, is approximated by the sum of ΔEKS of all discarded Ks. The remaining (connected) configurations are selected by thresholds based on natural orbital concepts. Given a model CI space M, a usual upper bound ES is computed by CI in a selected space S, and EM=E S+ΔEdis+δE, where δE is a residual error which can be calculated by well-defined sensitivity analyses. An SCI calculation on Ne ground state featuring 1077 orbitals is presented. Convergence to within near spectroscopic accuracy (0.5 cm-1) is achieved in a model space M of 1.4× 109 CSFs (1.1 × 1012 determinants) containing up to quadruply excited CSFs. Accurate energy contributions of quintuples and sextuples in a model space of 6.5 × 1012 CSFs are obtained. The impact of SCI on various orbital methods is discussed. Since ΔEdis can readily be calculated for very large basis sets without the need of a CI calculation, it can be used to estimate the orbital basis incompleteness error. A method for precise and efficient evaluation of ES is taken up in a companion paper

Innovation, entrepreneurship and outsourcing: essays on the use of knowledge in business environments

Innovació, emprenedoria i subcontractació són els pilars temàtics de la present tesi doctoral. L'ús del coneixement per part de les empreses representa l'element comú d'aquestes temàtiques. Les evidències empíriques provenen principalment del món empresarial, però es complementen amb les del món acadèmic com a principal proveïdor de coneixement a la societat actual, la finalitat de la qual és crear riquesa i benestar socioeconòmic. L'objectiu principal d'aquesta tesi doctoral és contribuir a les diferents àrees de recerca. La primera, gestió de la innovació, més concretament innovació organitzativa, reflexionant sobre la seva importància i monitorització a través d'enquestes. Tot seguit, un exemple d'innovació organitzativa -treball en equip- s'analitza en profunditat, així com també els seus determinants. La segona, analitza el procés de transició d'una universitat tradicional cap a una universitat emprenedora, començant per la fase de disseny fins a l'actualitat contemplant la seva funcionalitat i eficiència en el marc de les institucions públiques de recerca d'Europa. I la tercera, descriu les barreres que les empreses han de fer front a l'hora de cooperar, en general, i amb universitats, en particular. La mateixa mostra d'empreses gasela també serveix per analitzar la decisió de fer-o-comprar. El resum d'aquests resultats, les conclusions, així com les futures línies de recerca finalitzen el treball.