Crossmodal spatial location: initial experiments

This paper describes an alternative form of interaction for mobile devices using crossmodal output. The aim of our work is to investigate the equivalence of audio and tactile displays so that the same messages can be presented in one form or another. Initial experiments show that spatial location can be perceived as equivalent in both the auditory and tactile modalities Results show that participants are able to map presented 3D audio positions to tactile body positions on the waist most effectively when mobile and that there are significantly more errors made when using the ankle or wrist. This paper compares the results from both a static and mobile experiment on crossmodal spatial location and outlines the most effective ways to use this crossmodal output in a mobile context

Born-Oppenheimer potential for H2_2

The Born-Oppenheimer potential for the $^1\Sigma_g^+$ state of H$_2$ is obtained in the range of 0.1 -- 20 au, using analytic formulas and recursion relations for two-center two-electron integrals with exponential functions. For small distances James-Coolidge basis is used, while for large distances the Heitler-London functions with arbitrary polynomial in electron variables. In the whole range of internuclear distance about $10^{-15}$ precision is achieved, as an example at the equilibrium distance $r=1.4011$ au the Born-Oppenheimer potential amounts to $-1.174\,475\,931\,400\,216\,7(3)$. Results for the exchange energy verify the formula of Herring and Flicker [Phys. Rev. {\bf 134}, A362 (1964)] for the large internuclear distance asymptotics. The presented analytic approach to Slater integrals opens a window for the high precision calculations in an arbitrary diatomic molecule.Comment: 14 pages, 5 tables, 1 figure, corrected numeric

Quantum Monte Carlo method modeling supported metal catalysis: Ni(111) converting adsorbed formyl 'en route' to hydrogen

Hydrogen production as a clean, sustainable replacement for fossil fuels is gathering pace. Doubling the capacity of Paris-CDG airport has been halted, even with the upcoming Olympic Games, until hydrogen-powered planes can be used. It is thus timely to work on catalytic selective hydrogen production and optimise catalyst structure. Over 90 % of all chemical manufacture uses a solid catalyst. This work describes the dissociation of a C-H bond in formyl radicals, chemisorbed at Ni(111) that stabilises the ensuing Ni-H linkage. As part of this mechanistic step, gaseous hydrogen is given off. Many chemical reactions involve bond-dissociation. This process is often the key to rate-limiting reaction steps at solid surfaces. Since bond-breaking is poorly described by Hartree-Fock and DFT methods, our embedded active site approach is used. This work demonstrates Quantum Monte Carlo (QMC) methodology using a very simple monolayer Ni(111) surface model.Comment: arXiv admin note: substantial text overlap with arXiv:2202.00542, arXiv:2004.1056