Born-Oppenheimer approximation Hylleraas variational calculations with up to 7034 expansion terms are reported for the 1sigma(g)+ ground state of neutral hydrogen at various internuclear distances. The nonrelativistic energy is calculated to be -1.174 475 714 220(1) hartree at R = 1.4 bohr, which is four orders of magnitude better than the best previous Hylleraas calculation, that of Wolniewicz...

We investigate the geometry of lightsheets comprised of null geodesics near a brane. Null geodesics which begin parallel to a brane a distance d away are typically gravitationally bound to the brane, so that the maximum distance from the geodesic to the brane never exceeds d. The geometry of resulting lightsheets is similar to that of the brane if one coarse grains over distances of order d. We...

The most accurate electronic structure calculations are performed using wave function expansions in terms of basis functions explicitly dependent on the inter-electron distances. In our recent work, we use such basis functions to calculate a highly accurate potential energy surface (PES) for the H(3)(+) ion. The functions are explicitly correlated Gaussians, which include inter-electron distanc...

A series of tentative single-molecule conductance switches which could be triggered by light were examined by computational means using density functional theory (DFT) with non-equilibrium Green's functions (NEGF). The switches exploit the reversal in electron counting rules for aromaticity and antiaromaticity upon excitation from the electronic ground state (S0) to the lowest ππ* excited singl...

Distance measurements to Type Ia supernovae (SNe Ia) at cosmological distances indicate that the Universe is accelerating and that a large fraction of the critical energy density exists in a component with negative pressure. Various hypotheses on the nature of this “dark energy” can be tested via their prediction for the equation of state of this component. If the dark energy is due to a scalar...

We show that photons with energies above the GZK cutoff can reach us from very distant sources if they mix with light axions in extragalactic magnetic fields. The effect which enables this is the conversion of photons into axions, which are sufficiently weakly coupled to travel large distances unimpeded. These axions then convert back into high energy photons close to the Earth. We show that ph...

Mechanically interlocked molecules (rotaxanes and catenanes) have already revolutionized molecular electronics and have the promise of a similar impact in other areas of nanotechnology, ranging from nanoactuators to in vivo drug nanocarriers. However, it would be most useful to have quantitative criteria for predicting structures, binding, and excitation energies for use in designing molecules ...