Orbital currents in the Colle-Salvetti correlation energy functional and the degeneracy problem

Popular density functionals for the exchange-correlation energy typically fail to reproduce the degeneracy of different ground states of open-shell atoms. As a remedy, functionals which explicitly depend on the current density have been suggested. We present an analysis of this problem by investigating functionals that explicitly depend on the Kohn-Sham orbitals. Going beyond the exact-exchange approximation by adding correlation in the form of the Colle-Salvetti functional we show how current-dependent terms enter the Colle-Salvetti expression and their relevance is evaluated. A very good description of the degeneracy of ground-states for atoms of the first and second row of the periodic table is obtained

The stability of the spectator, Dirac, and Salpeter equations for mesons

Mesons are made of quark-antiquark pairs held together by the strong force. The one channel spectator, Dirac, and Salpeter equations can each be used to model this pairing. We look at cases where the relativistic kernel of these equations corresponds to a time-like vector exchange, a scalar exchange, or a linear combination of the two. Since the model used in this paper describes mesons which cannot decay physically, the equations must describe stable states. We find that this requirement is not always satisfied, and give a complete discussion of the conditions under which the various equations give unphysical, unstable solutions

Spectral density and metal-insulator phase transition in Mott insulators within RDMFT

We present a method for calculating the spectrum of periodic solids within reduced density matrix functional theory. This method is validated by a detailed comparison of the angular momentum projected spectral density with that of well established many-body techniques, in all cases finding an excellent agreement. The physics behind the pressure induced insulator-metal phase transition in MnO is investigated. The driving mechanism of this transition is identified as increased crystal field splitting with pressure, resulting in a charge redistribution between the Mn $e_g$ and $t_2g$ symmetry projected states.Comment: arXiv admin note: text overlap with arXiv:0912.111

Experimental and Theoretical Search for a Phase Transition in Nuclear Fragmentation

Phase transitions of small isolated systems are signaled by the shape of the caloric equation of state e^*(T), the relationship between the excitation energy per nucleon e^* and temperature. In this work we compare the experimentally deduced e^*(T) to the theoretical predictions. The experimentally accessible temperature was extracted from evaporation spectra from incomplete fusion reactions leading to residue nuclei. The experimental e^*(T) dependence exhibits the characteristic S-shape at e^* = 2-3 MeV/A. Such behavior is expected for a finite system at a phase transition. The observed dependence agrees with predictions of the MMMC-model, which simulates the total accessible phase-space of fragmentation

Ambiguities in statistical calculations of nuclear fragmentation

The concept of freeze out volume used in many statistical approaches for disassembly of hot nuclei leads to ambiguities. The fragmentation pattern and the momentum distribution (temperature) of the emanated fragments are determined by the phase space at the freeze-out volume where the interaction among the fragments is supposedly frozen out. However, to get coherence with the experimental momentum distribution of the charged particles, one introduces Coulomb acceleration beyond this freeze-out. To be consistent, we investigate the effect of the attractive nuclear force beyond this volume and find that the possible recombination of the fragments alters the physical observables significantly casting doubt on the consistency of the statistical model.Comment: 11 pages+3 figure