Long-range attraction between charge-mosaic surfaces across water

We have measured directly the forces across water between hydrophilic surfaces covered with a random mosaic of positive and negative charged domains. We find a strong, long-ranged attraction between them at a surface separation comparable with the charge domain size (many tens of nanometers). This attraction persists at higher salt concentration, but its range then becomes comparable to the Debye screening length. We attribute the attraction to correlation between negative and positive regions on opposing surfaces, facilitated by the lateral mobility of the charge patches on the surfaces.     

On commensurator growth

We study a new asymptotic invariant of a pair consisting of a group and a subgroup, which we call the commensurator growth. We compute the commensurator growth for several examples, concentrating mainly on the case of a locally compact topological group and a lattice inside it.     

Quadrupole response of a weakly bound bosonic trimer

The inelastic response of a bosonic trimer is explored in the confines of the Borromean region. To this end we model the interaction between the external field and the bosonic system as a photoabsorptionlike process and study the response of the trimer in the quadrupole approximation. We utilize the hyperspherical-harmonics expansion to solve the Schr?dinger equation and the Lorentz integral transform method to calculate the reaction. It is found that the magnitude of the response function and corresponding sum rules increase exponentially when approaching the 3-body threshold. It is also found that this increase is governed by unnatural exponents. The connection between our results and radio-frequency experiments in ultracold atom systems is made.     

Dynamics and thermodynamics of the low-temperature strongly interacting Bose gas

We measure the zero-temperature equation of state of a homogeneous Bose gas of (7)Li atoms by analyzing the in situ density distributions of trapped samples. For increasing repulsive interactions our data show a clear departure from mean-field theory and provide a quantitative test of the many-body corrections first predicted in 1957 by Lee, Huang, and Yang [Phys. Rev. 106, 1135 (1957).]. We further probe the dynamic response of the Bose gas to a varying interaction strength and compare it to simple theoretical models. We deduce a lower bound for the value of the universal constant ξ > 0.44(8) that would characterize the universal Bose gas at the unitary limit.     

Analytic Lorentz Integral Transform of an Arbitrary Response Function and its Application to the Inversion Problem

In this paper we present an analytic expression for the Lorentz integral transform of an arbitrary response function expressed as a polynomial times a decaying exponent. The resulting expression is applied to the inversion problem of the Lorentz integral transform, simplifying the inversion procedure and improving the accuracy of the procedure.     

Elucidating the role of many-body forces in liquid water. I. Simulations of water clusters on the VRT(ASP-W) potential surfaces

We test two new potentials for water, fit to vibration-rotation tunneling (VRT) data by employing diffusion quantum Monte Carlo simulations to calculate the vibrational ground-state properties of water clusters. These potentials, VRT(ASP-W)II and VRT(ASP-W)III, are fits of the highly detailed ASP-W (anisotropic site potential with Woermer dispersion) ab initio potential to (D(2)O)(2) microwave and far-infrared data, and along with the SAPT5s (five-site symmetry adapted perturbation theory) potentials, are the most accurate water dimer potential surfaces in the literature. The results from VRT(ASP-W)II and III are compared to those from the original ASP-W potential, the SAPT5s family of potentials, and several bulk water potentials. Only VRT(ASP-W)III and the spectroscopically "tuned" SAPT5st (with N-body induction included) accurately reproduce the vibrational ground-state structures of water clusters up to the hexamer. Finally, the importance of many-body induction and three-body dispersion are examined, and it is shown that the latter can have significant effects on water cluster properties despite its small magnitude.     

First principles simulation of a superionic phase of hydrogen fluoride (HF) at high pressures and temperatures

We have conducted ab initio molecular dynamics simulations of hydrogen fluoride (HF) at pressures of 5-66 GPa along the 900 K isotherm. We predict a superionic phase at 33 GPa, where the fluorine atoms are fixed in a bcc lattice while the hydrogen atoms diffuse rapidly with a diffusion constant between 2 x 10(-5) and 5 x 10(-5)cm(2)s. We find that a transformation from asymmetric to symmetric hydrogen bonding occurs in HF at 66 GPa and 900 K. With superionic HF we have discovered a model system where symmetric hydrogen bonding occurs at experimentally achievable conditions. Given previous results on superionic H(2)O [Goldman et al., Phys. Rev. Lett. 94, 217801 (2005)] and NH(3) [Cavazzoni et al., Science 283, 44 (1999)], we conclude that high P, T superionic phases of electronegative element hydrides could be common.     

Perturbation theories and wave functions for calculation of electronic polarizabilities application to DNA bases

Three different forms of perturbation theories, variational perturbation, finite perturbation and second-order, are evaluated regarding their value for calculation of electronic polarizabilities of small and intermediate size molecules. It is concluded that with the practical constraint of a small basis set the variational perturbation method is the most promising alternative for calculation of polarizabilities. For several small molecules, our calculated polarizabilities indicate that both IEHT and ab initio wave functions give values in close agreement with each other. Variational perturbation calculations of polarizabilities with IEHT wave functions also include the DNA bases.