Quasi-chemical theory with a soft cutoff

In view of the wide success of molecular quasi-chemical theory of liquids, this paper develops the soft-cutoff version of that theory. This development has important practical consequences in the common cases that the packing contribution dominates the solvation free energy of realistically-modeled molecules because treatment of hard-core interactions usually requires special purpose simulation methods. In contrast, treatment of smooth repulsive interactions is typically straightforward on the basis of widely available software. This development also shows how fluids composed of molecules with smooth repulsive interactions can be treated analogously to the molecular-field theory of the hard-sphere fluid. In the treatment of liquid water, quasi-chemical theory with soft-cutoff conditioning doesn't change the fundamental convergence characteristics of the theory using hard-cutoff conditioning. In fact, hard cutoffs are found here to work better than softer ones.Comment: 5 pages, 2 figure

Balancing Local Order and Long-Ranged Interactions in the Molecular Theory of Liquid Water

A molecular theory of liquid water is identified and studied on the basis of computer simulation of the TIP3P model of liquid water. This theory would be exact for models of liquid water in which the intermolecular interactions vanish outside a finite spatial range, and therefore provides a precise analysis tool for investigating the effects of longer-ranged intermolecular interactions. We show how local order can be introduced through quasi-chemical theory. Long-ranged interactions are characterized generally by a conditional distribution of binding energies, and this formulation is interpreted as a regularization of the primitive statistical thermodynamic problem. These binding-energy distributions for liquid water are observed to be unimodal. The gaussian approximation proposed is remarkably successful in predicting the Gibbs free energy and the molar entropy of liquid water, as judged by comparison with numerically exact results. The remaining discrepancies are subtle quantitative problems that do have significant consequences for the thermodynamic properties that distinguish water from many other liquids. The basic subtlety of liquid water is found then in the competition of several effects which must be quantitatively balanced for realistic results.Comment: 8 pages, 6 figure

Final state interactions in two-particle interferometry

We reconsider the influence of two-particle final state interactions (FSI) on two-particle Bose-Einstein interferometry. We concentrate in particular on the problem of particle emission at different times. Assuming chaoticity of the source, we derive a new general expression for the symmetrized two-particle cross section. We discuss the approximations needed to derive from the general result the Koonin-Pratt formula. Introducing a less stringent version of the so-called smoothness approximation we also derive a more accurate formula. It can be implemented into classical event generators and allows to calculate FSI corrected two-particle correlation functions via modified Bose-Einstein "weights".Comment: 12 pages RevTeX, 2 ps-figures included, submitted to Phys. Rev.

Quantum corrections for pion correlations involving resonance decays

A method is presented to include quantum corrections into the calculation of two-pion correlations for the case where particles originate from resonance decays. The technique uses classical information regarding the space-time points at which resonances are created. By evaluating a simple thermal model, the method is compared to semiclassical techniques that assume exponential decaying resonances moving along classical trajectories. Significant improvements are noted when the resonance widths are broad as compared to the temperature.Comment: 9 pages, 4 figure

Effect of the source charge on charged-beam interferometry

We investigate quantal perturbations of the interferometric correlations of charged bosons by the Coulomb field of an instantaneous, charged source. The source charge increases the apparent source size by weakening the correlation at non-zero relative momenta. The effect is strongest for pairs with a small total momentum and is stronger for kaons than for pions of the same momenta. The experimental data currently available are well described by this effect without invoking Pratt's exploding source model. A simple expression is proposed to account for the effect.Comment: 9 pages TEX, 3 Postscript figures available at http://www.krl.caltech.edu/preprints/MAP.htm

Covariance of Antiproton Yield and Source Size in Nuclear Collisions

We confront for the first time the widely-held belief that combined event-by-event information from quark gluon plasma signals can reduce the ambiguity of the individual signals. We illustrate specifically how the measured antiproton yield combined with the information from pion-pion HBT correlations can be used to identify novel event classes.Comment: 8 pages, 5 figures, improved title, references and readability; results unchange

Canonical and Microcanonical Distributions for Fermi Systems

Recursion relations are presented that allow exact calculation of canonical and microcanonical partition functions of degenerate Fermi systems, assuming no explicit two-body interactions. Calculations of the level density, sorted by angular momentum, are presented for Ni-56 are presented. The issue of treating unbound states is also addressed.Comment: 5 pages, 5 figure