31 research outputs found
Analytical two-center integrals over Slater geminal functions
We present analytical formulas for the calculation of the two-center
two-electron integrals in the basis of Slater geminals and products of Slater
orbitals. Our derivation starts with establishing a inhomogeneous fourth-order
ordinary differential equation that is obeyed by the master integral, the
simplest integral with inverse powers of all interparticle distances. To solve
this equation it was necessary to introduce a new family of special functions
which are defined through their series expansions around regular singular
points of the differential equation. To increase the power of the interparticle
distances under the sign of the integral we developed a family of open-ended
recursion relations. A handful of special cases of the integrals is also
analysed with some remarks on simplifications that occur. Additionally, we
present some numerical examples of the master integral that validate the
usefulness and correctness of the key equations derived in this paper. In
particular, we compare our results with the calculations based on the series
expansion of the exp(-\gamma r12) term in the master integral.Comment: 28 pages, 0 figures, 7 table
Tune in to your emotions: a robust personalized affective music player
The emotional power of music is exploited in a personalized affective music player (AMP) that selects music for mood enhancement. A biosignal approach is used to measure listenersâ personal emotional reactions to their own music as input for affective user models. Regression and kernel density estimation are applied to model the physiological changes the music elicits. Using these models, personalized music selections based on an affective goal state can be made. The AMP was validated in real-world trials over the course of several weeks. Results show that our models can cope with noisy situations and handle large inter-individual differences in the music domain. The AMP augments music listening where its techniques enable automated affect guidance. Our approach provides valuable insights for affective computing and user modeling, for which the AMP is a suitable carrier application
Mechanical investigation of polyurethane elastomers in terms of fracture mechanics methods
Poliuretanowe elastomery zastÄpujÄ
w ukĆadach zawieszenia pojazdĂłw mechanicznych materiaĆy gumowe. W artykule przedstawiono wyniki badaĆ eksperymentalnych elastomerĂłw poliuretanowych. GĆĂłwnÄ
uwagÄ poĆwiÄcono odpornoĆci na pÄkanie i rozdzieranie elastomerĂłw poliuretanowych w dwĂłch rĂłĆŒnych konfiguracjach twardoĆci â 80ShA â zbliĆŒonej do twardoĆci seryjnie uĆŒytkowanych gumowych elastomerĂłw i 90ShA dedykowanej dla pojazdĂłw, gdzie wymagana jest wiÄksza sztywnoĆÄ zawieszenia. Zbadano wpĆyw twardoĆci tworzywa na odpornoĆÄ na pÄkanie wyraĆŒonÄ
w krytycznej wartoĆci energii Wf oraz odpornoĆci na rozdzieranie. Wykazano, ĆŒe wĆrĂłd powszechnie stosowanych materiaĆĂłw o dwĂłch twardoĆciach; 80ShA i 90ShA, wystÄpujÄ
znaczÄ
co rĂłĆŒne mechanizmy dyssypatywne przed frontem szczeliny. Pomimo zbliĆŒonych wartoĆci wydĆuĆŒenia caĆkowitego przy zerwaniu (statyczna prĂłba rozciÄ
gania prĂłbek gĆadkich) zaobserwowano istotnie rĂłĆŒnÄ
skĆonnoĆÄ materiaĆu do pochĆaniania energii, jak rĂłwnieĆŒ odpornoĆci na rozdzieranie. Z perspektywy uĆŒytkowej parametry te sÄ
kluczowe w kontekĆcie dynamicznego charakteru pracy tego typu materiaĆĂłw.In the paper, the experimental results of the mechanical investigation have been presented. The main attention was paid to fracture toughness and tearing resistance of polyurethane elastomers in terms of two different hardness configurations; 80ShA and 90ShA. The impact of material hardness on the fracture resistance is reflected in experimental results. For fracture toughness characterization, the EWF (essential work of fracture) method was involved. It has been shown, that the 80ShA and 90ShA materials demonstrate completly different behavior under high stress concentration condition - see the results for the cracked DENT specimens. The higher
values of the essential work of fracture for the 90ShA material confirm a higher ductility level of this material. From the perspective of usefulness of fracture mechanics, the energy approach seems to be crucial in the context of the real operating conditions of the bushing in suspension system of vehicles
Correlation energies for many-electron atoms with explicitly correlated Slater functions
Transition moments between excited electronic states from the Hermitian formulation of the coupled cluster quadratic response function
Calculation of STOs electron repulsion integrals by ellipsoidal expansion and large-order approximations
Electro-optical effect in a planar nematic cell with electric field sensitive boundary conditions
Contribution to the study of the influence of the stress ratio on the high cycle fatigue behaviour of riveted joints
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