The pwpaw code is a plane wave implementation of the Projector Augmented Wave (PAW) method developed by Blöchl for electronic structure calculations within the framework of density functional theory. In addition to the self-consistent calculation of the electronic structure of a periodic solid, the program has a number of other capabilities, including structural geometry optimization and molecu...

We obtain bounds on the stability of various self-gravitating astrophysical objects using a new measure of shape complexity known as configurational entropy. We apply the method to Newtonian polytropes, neutron stars with an Oppenheimer-Volkoff equation of state, and to self-gravitating configurations of complex scalar field (boson stars) with different self-couplings, showing that the critical...

We report on the recent progress computation of doubly heavy baryon spectrum in effective field theory. The theory is built upon heavy-quark mass and adiabatic expansions. potentials can be expressed as NRQCD Wilson loops with operator insertions. These are nonperturbative objects so far only one corresponding to static potential has been computed lattice QCD. review proposal for a parametrizat...

In the last few years, we have been developing a Monte Carlo simulation method to cope with systems of many electrons and ions in the Born-Oppenheimer approximation: the coupled electron-ion Monte Carlo method (CEIMC). Electronic properties in CEIMC are computed by quantum Monte Carlo rather than by density functional theory (DFT) based techniques. CEIMC can, in principle, overcome some of the ...

Molecular Calculations with Explicitly Correlated Gaussians Sergiy Bubin,*,† Michele Pavanello,*,‡ Wei-Cheng Tung, Keeper L. Sharkey, and Ludwik Adamowicz* †Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235, United States ‡Department of Chemistry, Rutgers University Newark, Newark, New Jersey 07102, United States Department of Chemistry and Biochemistry and ...

This article describes a quantum mechanical reactive scattering program for atom–diatom chemical reactions that we have written during the past several years. The program uses a coupled-channel hyperspherical coordinate method to solve the Schrödinger equation for the motion of the three nuclei on a single Born–Oppenheimer potential energy surface. It has been tested for all possible deuterium-...

submitted as a Technical Comment to Science Sir: I am writing in comment to the recent survey by Oppenheimer et al [1]. This survey finds 34 high velocity white dwarfs, and concludes that these white dwarfs form a component of dark matter, representing 3% of the local mass of the halo. This survey is similar to the Luyten survey [2], covering 10% of the sky whereas Luyten covers 2/3 of the sky,...