581 research outputs found
Magnetic Behavior of a Mixed Ising Ferrimagnetic Model in an Oscillating Magnetic Field
The magnetic behavior of a mixed Ising ferrimagnetic system on a square
lattice, in which the two interpenetrating square sublattices have spins +- 1/2
and spins +-1,0, in the presence of an oscillating magnetic field has been
studied with Monte Carlo techniques. The model includes nearest and
next-nearest neighbor interactions, a crystal field and the oscillating
external field. By studying the hysteretic response of this model to an
oscillating field we found that it qualitatively reproduces the increasing of
the coercive field at the compensation temperature observed in real
ferrimagnets, a crucial feature for magneto-optical applications. This behavior
is basically independent of the frequency of the field and the size of the
system. The magnetic response of the system is related to a dynamical
transition from a paramagnetic to a ferromagnetic phase and to the different
temperature dependence of the relaxation times of both sublattices.Comment: 10 figures. To be published in Phys.Rev
Zero-variance zero-bias quantum Monte Carlo estimators of the spherically and system-averaged pair density
We construct improved quantum Monte Carlo estimators for the spherically- and
system-averaged electron pair density (i.e. the probability density of finding
two electrons separated by a relative distance u), also known as the
spherically-averaged electron position intracule density I(u), using the
general zero-variance zero-bias principle for observables, introduced by
Assaraf and Caffarel. The calculation of I(u) is made vastly more efficient by
replacing the average of the local delta-function operator by the average of a
smooth non-local operator that has several orders of magnitude smaller
variance. These new estimators also reduce the systematic error (or bias) of
the intracule density due to the approximate trial wave function. Used in
combination with the optimization of an increasing number of parameters in
trial Jastrow-Slater wave functions, they allow one to obtain well converged
correlated intracule densities for atoms and molecules. These ideas can be
applied to calculating any pair-correlation function in classical or quantum
Monte Carlo calculations.Comment: 13 pages, 9 figures, published versio
Excited states of beryllium atom from explicitly correlated wave functions
A study of the first excited states of beryllium atom starting from
explicitly correlated wave functions is carried out. Several properties are
obtained and discussed focusing on the analysis of the Hund's rules in terms of
the single--particle and electron pair intracule and extracule densities. A
systematic study of the differences on the electronic distributions of the
singlet and triplet states is carried out. The trial wave function used to
describe the different bound states consists of a generalized Jastrow-type
correlation factor times a configuration interaction model wave function. This
model wave function has been fixed by using a generalization of the optimized
effective potential method to deal with multiconfiguration wave functions. The
optimization of the wave function and the calculation of the different
quantities is carried out by means of the Variational Monte Carlo method.Comment: 28 pages, 6 figure
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