28,013 research outputs found
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 and 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
- …