Accurate calculations of intermolecular interaction energies using explicitly correlated coupled cluster wave functions and a dispersion-weighted MP2 method.

Explicitly correlated coupled-cluster calculations of intermolecular interaction energies for the S22 benchmark set of Jurecka, Sponer, Cerny, and Hobza (Chem. Phys. Phys. Chem. 2006, 8, 1985) are presented. Results obtained with the recently proposed CCSD(T)-F12a method and augmented double-zeta basis sets are found to be in very close agreement with basis set extrapolated conventional CCSD(T) results. Furthermore, we propose a dispersion-weighted MP2 (DW-MP2) approximation that combines the good accuracy of MP2 for complexes with predominately electrostatic bonding and SCS-MP2 for dispersion-dominated ones. The MP2-F12 and SCS-MP2-F12 correlation energies are weighted by a switching function that depends on the relative HF and correlation contributions to the interaction energy. For the S22 set, this yields a mean absolute deviation of 0.2 kcal/mol from the CCSD(T)-F12a results. The method, which allows obtaining accurate results at low cost, is also tested for a number of dimers that are not in the training set.

Wave-vector dependence of spin and density multipole excitations in quantum dots

We have employed time-dependent local-spin density-functional theory to analyze the multipole spin and charge density excitations in GaAs-AlxGa1-xAs quantum dots. The on-plane transferred momentum degree of freedom has been taken into account, and the wave-vector dependence of the excitations is discussed. In agreement with previous experiments, we have found that the energies of these modes do not depend on the transferred wave vector, although their intensities do. Comparison with a recent resonant Raman scattering experiment [C. Schüller et al., Phys. Rev. Lett. 80, 2673 (1998)] is made. This allows us to identify the angular momentum of several of the observed modes as well as to reproduce their energies

Bargmann-Wigner method and (6S + 1)-component wave equations

A modified Bargmann-Wigner method is used to derive (6s + 1)-component wave equations. The relation between different forms of these equations is shown.

Newton-Hooke algebras, nonrelativistic branes, and generalized pp-wave metrics

The Newton-Hooke algebras in d dimensions are constructed as contractions of dS(AdS) algebras. Nonrelativistic brane actions are WZ terms of these Newton-Hooke algebras. The NH algebras appear also as subalgebras of multitemporal relativistic conformal algebras, SO(d+1,p+2). We construct generalizations of pp-wave metrics from these algebras.

Gravitational wave pulse and soliton wave collision

We study the collision of a gravitational wave pulse and a soliton wave on a spatially homogeneous background. This collision is described by an exact solution of Einsteins equations in a vacuum which is generated from a nondiagonal seed by means of a soliton transformation. The effect produced by the soliton on the amplitude and polarization of the wave is considered.

From Galilean-invariant to relativistic wave equations

Through an imaginary change of coordinates in the Galilei algebra in 4 space dimensions and making use of an original idea of Dirac and Lvy-Leblond, we are able to obtain the relativistic equations of Dirac and of Bargmann and Wigner starting with the (Galilean-invariant) Schrdinger equation.

Wave propagation in a medium with disordered excitability

The effect of quenched disorder on the propagation of autowaves in excitable media is studied both experimentally and numerically in relation to the light-sensitive Belousov-Zhabotinsky reaction. The spatial disorder is introduced through a random distribution with two different levels of transmittance. In one dimension the (time-averaged) wave speed is smaller than the corresponding to a homogeneous medium with the mean excitability. Contrarily, in two dimensions the velocity increases due to the roughening of the front. Results are interpreted using kinematic and scaling arguments. In particular, for d = 2 we verify a theoretical prediction of a power-law dependence for the relative change of the propagation speed on the disorder amplitude.

Regular wave propagation out of noise in chemical active media

A pacemaker, regularly emitting chemical waves, is created out of noise when an excitable photosensitive Belousov-Zhabotinsky medium, strictly unable to autonomously initiate autowaves, is forced with a spatiotemporal patterned random illumination. These experimental observations are also reproduced numerically by using a set of reaction-diffusion equations for an activator-inhibitor model, and further analytically interpreted in terms of genuine coupling effects arising from parametric fluctuations. Within the same framework we also address situations of noise-sustained propagation in subexcitable media.

New predictions for inclusive heavy-quarkonium P-wave decays

We show that some nonrelativistic quantum chromodynamics color-octet matrix elements can be written in terms of (derivatives of) wave functions at the origin and of nonperturbative universal constants once the factorization between the soft and ultrasoft scales is achieved by using an effective field theory where only ultrasoft degrees of freedom are kept as dynamical entities. This allows us to derive a new set of relations between inclusive heavy-quarkonium P-wave decays into light hadrons with different principal quantum numbers and with different heavy flavors. In particular, we can estimate the ratios of the decay widths of bottomonium P-wave states from charmonium data.

New predictions for inclusive heavy-quarkonium p-wave decays

We show that some nonrelativistic quantum chromodynamics color-octet matrix elements can be written in terms of (derivatives of) wave functions at the origin and of nonperturbative universal constants once the factorization between the soft and ultrasoft scales is achieved by using an effective field theory where only ultrasoft degrees of freedom are kept as dynamical entities. This allows us to derive a new set of relations between inclusive heavy-quarkonium P-wave decays into light hadrons with different principal quantum numbers and with different heavy flavors. In particular, we can estimate the ratios of the decay widths of bottomonium P-wave states from charmonium data.

Dynamics of domain walls in pattern formation under traveling-wave forcing

We study dynamics of domain walls in pattern forming systems that are externally forced by a moving space-periodic modulation close to 2:1 spatial resonance. The motion of the forcing induces nongradient dynamics, while the wave number mismatch breaks explicitly the chiral symmetry of the domain walls. The combination of both effects yields an imperfect nonequilibrium Ising-Bloch bifurcation, where all kinks (including the Ising-like one) drift. Kink velocities and interactions are studied within the generic amplitude equation. For nonzero mismatch, a transition to traveling bound kink-antikink pairs and chaotic wave trains occurs.