3,181 research outputs found
Pair extended coupled cluster doubles
The accurate and efficient description of strongly correlated systems remains
an important challenge for computational methods. Doubly occupied configuration
interaction (DOCI), in which all electrons are paired and no correlations which
break these pairs are permitted, can in many cases provide an accurate account
of strong correlations, albeit at combinatorial computational cost. Recently,
there has been significant interest in a method we refer to as pair coupled
cluster doubles (pCCD), a variant of coupled cluster doubles in which the
electrons are paired. This is simply because pCCD provides energies nearly
identical to those of DOCI, but at mean-field computational cost (disregarding
the cost of the two-electron integral transformation). Here, we introduce the
more complete pair extended coupled cluster doubles (pECCD) approach which,
like pCCD, has mean-field cost and reproduces DOCI energetically. We show that
unlike pCCD, pECCD also reproduces the DOCI wave function with high accuracy.
Moreoever, pECCD yields sensible albeit inexact results even for attractive
interactions where pCCD breaks down.Comment: submitted manuscrip
Spectral Effects of the Vacuum Resonance in Soft Gamma-Ray Repeaters
The association of all three soft gamma-ray repeaters (SGRs) with supernova
remnants has established that SGRs are young neutron stars, and has given us a
starting point for detailed modeling. One of the most popular classes of models
involves strongly magnetised neutron stars, with surface dipole fields B~
10^{14}-10^{15} Gauss. In such strong magnetic fields, many otherwise
negligible processes can play an important role. Here we consider the effects
of vacuum polarisation on Compton scattering. Vacuum polarisation introduces a
characteristic density-dependent photon frequency at which the normal modes of
polarisation become nonorthogonal and the mean free path of photons decreases
sharply. Our analytic results and Monte Carlo simulations of photon propagation
through a magnetised plasma show that this effect leads, under a wide range of
physical conditions, to a broad absorption-like feature in the energy range ~5
keV---40 keV. We discuss this effect in light of the spectra from SGR 1806-20.Comment: 13 pages Latex , uses mn.sty. Submitted to MNRA
Particle-particle and quasiparticle random phase approximations: Connections to coupled cluster theory
We establish a formal connection between the particle-particle (pp) random
phase approximation (RPA) and the ladder channel of the coupled cluster doubles
(CCD) equations. The relationship between RPA and CCD is best understood within
a Bogoliubov quasiparticle (qp) RPA formalism. This work is a follow-up to our
previous formal proof on the connection between particle-hole (ph) RPA and
ring-CCD. Whereas RPA is a quasibosonic approximation, CC theory is a correct
bosonization in the sense that the wavefunction and Hilbert space are exactly
fermionic. Coupled cluster theory achieves this goal by interacting the ph
(ring) and pp (ladder) diagrams via a third channel that we here call
"crossed-ring" whose presence allows for full fermionic antisymmetry.
Additionally, coupled cluster incorporates what we call "mosaic" terms which
can be absorbed into defining a new effective one-body Hamiltonian. The
inclusion of these mosaic terms seems to be quite important. The pp-RPA an d
qp-RPA equations are textbook material in nuclear structure physics but are
largely unknown in quantum chemistry, where particle number fluctuations and
Bogoliubov determinants are rarely used. We believe that the ideas and
connections discussed in this paper may help design improved ways of
incorporating RPA correlation into density functionals based on a CC
perspective
Can attention to the intestinal microbiota improve understanding and treatment of anorexia nervosa?
Anorexia nervosa (AN) is characterized by severe dietary restriction or other weight loss behaviors and exhibits the highest mortality rate of any psychiatric disorder. Therapeutic renourishment in AN is founded primarily on clinical opinion and guidelines, with a weak evidence base. Genetic factors do not fully account for the etiology of AN, and non-genetic factors that contribute to the onset and persistence of this disease warrant investigation. Compelling evidence that the intestinal microbiota regulates adiposity and metabolism, and more recently, anxiety behavior, provides a strong rationale for exploring the role of this complex microbial community in the onset, maintenance of, and recovery from AN. This review explores the relationship between the intestinal microbiota and AN and a potential role for this enteric microbial community as a therapy for this severe illness
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