9,409 research outputs found
Compact two-electron wave function for bond dissociation and Van der Waals interactions: A natural amplitude assessment
Electron correlations in molecules can be divided in short range dynamical
correlations, long range Van der Waals type interactions and near degeneracy
static correlations. In this work we analyze for a one-dimensional model of a
two-electron system how these three types of correlations can be incorporated
in a simple wave function of restricted functional form consisting of an
orbital product multiplied by a single correlation function
depending on the interelectronic distance . Since the three types of
correlations mentioned lead to different signatures in terms of the natural
orbital (NO) amplitudes in two-electron systems we make an analysis of the wave
function in terms of the NO amplitudes for a model system of a diatomic
molecule. In our numerical implementation we fully optimize the orbitals and
the correlation function on a spatial grid without restrictions on their
functional form. Due to this particular form of the wave function, we can prove
that none of the amplitudes vanishes and moreover that it displays a distinct
sign pattern and a series of avoided crossings as a function of the bond
distance in agreement with the exact solution. This shows that the wave
function Ansatz correctly incorporates the long range Van der Waals
interactions. We further show that the approximate wave function gives an
excellent binding curve and is able to describe static correlations. We show
that in order to do this the correlation function needs to diverge
for large at large internuclear distances while for shorter bond
distances it increases as a function of to a maximum value after which
it decays exponentially. We further give a physical interpretation of this
behavior.Comment: 16 pages, 13 figure
Invariance of the Kohn (sloshing) mode in a conserving theory
It is proven that the center of mass (COM or Kohn) oscillation of a many-body
system in a harmonic trap coincides with the motion of a single particle as
long as conserving approximations are applied to treat the interactions. The
two conditions formulated by Kadanoff and Baym \cite{kb-book} are shown to be
sufficient to preserve the COM mode. The result equally applies to zero and
finite temperature, as well as to nonequilibrium situations, and to the linear
and nonlinear response regimes
Reply to Farine and Aplin: Chimpanzees choose their association and interaction partners
Farine and Aplin (1) question the validity of our study reporting group-specific social dynamics in chimpanzees (2). As alternative to our approach, Farine and Aplin advance a “prenetwork permutation” methodology that tests against random assortment (3). We appreciate Farine and Aplin’s interest and applied their suggested approaches to our data. The new analyses revealed highly similar results to those of our initial approach. We further dispel Farine and Aplin’s critique by outlining its incompatibility to our study system, methodology, and analysis.First, when we apply the suggested prenetwork permutation to our proximity dataset, we again find significant population-level differences in association rates, while controlling for population size [as derived from Farine and Aplin’s script (4); original result, P < 0.0001; results including prenetwork permutation, P < 0.0001]. Furthermore, when we … ↵1To whom correspondence may be addressed. Email: ejcvanleeuwen{at}gmail.com
Automatic alignment for three-dimensional tomographic reconstruction
In tomographic reconstruction, the goal is to reconstruct an unknown object
from a collection of line integrals. Given a complete sampling of such line
integrals for various angles and directions, explicit inverse formulas exist to
reconstruct the object. Given noisy and incomplete measurements, the inverse
problem is typically solved through a regularized least-squares approach. A
challenge for both approaches is that in practice the exact directions and
offsets of the x-rays are only known approximately due to, e.g. calibration
errors. Such errors lead to artifacts in the reconstructed image. In the case
of sufficient sampling and geometrically simple misalignment, the measurements
can be corrected by exploiting so-called consistency conditions. In other
cases, such conditions may not apply and we have to solve an additional inverse
problem to retrieve the angles and shifts. In this paper we propose a general
algorithmic framework for retrieving these parameters in conjunction with an
algebraic reconstruction technique. The proposed approach is illustrated by
numerical examples for both simulated data and an electron tomography dataset
Unity Through Law: Revisiting the Constitutionalisation of Europe:[Review of A. Vauchez (2015)Brokering Europe. Euro-Lawyers and the Making of a Transnational Polity.]
Somatisation and functional impairment in adolescents: longitudinal link with mothers' reactions
Adolescents' somatisation (i.e., the psychological tendency to experience and report multiple physical complaints for which no definite medical cause can be found; SOM) and functional impairment (i.e., all bothersome aftermath of somatisation; FI) were studied in relation to mothers' protection, encouraging/monitoring, and minimisation of physical functional complaints. Besides main effects, interaction effects with other child and parenting characteristics were examined. A total of 990 adolescents and their mothers filled out questionnaires when the adolescents were respectively 12-13 (T1) and 13-14 (T2) years old. At T1, there was a significant relation between mothers' higher amounts of minimisation and adolescents' higher levels of SOM. Further, the link between mothers' higher levels of T1 minimisation and adolescents' higher amounts of T1 FI was significant, but not for adolescents with high levels of depressive mood. Longitudinal analyses revealed that mothers' reactions did not significantly predict adolescents' SOM/FI, nor did adolescents' SOM/FI significantly predict mothers' reactions. Practical implications are discussed
'A dream, dreamed by reason... hollow like all dreams': French existentialism and its critique of abstract liberalism
Helium 2 3S - 2 1S metrology at 1557 nm
An experiment is proposed to excite the 'forbidden' 1s2s 3S1 - 1s2s 1S0
magnetic dipole (M1) transition at 1557 nm in a collimated and slow atomic beam
of metastable helium atoms. It is demonstrated that an excitation rate of 5000
/s can be realised with the beam of a 2W narrowband telecom fiber laser
intersecting the atomic beam perpendicularly. A Doppler-limited sub-MHz
spectroscopic linewidth is anticipated. Doppler-free excitation of 2% of
trapped and cooled atoms may be realised in a one-dimensional optical lattice
geometry, using the 2W laser both for trapping and spectroscopy. The very small
(8 Hz) natural linewidth of this transition presents an opportunity for
accurate tests of atomic structure calculations of the helium atom. A
measurement of the 3He - 4He isotope shift allows for accurate determination of
the difference in nuclear charge radius of both isotopes.Comment: accepted for publication in Europhysics Letter
The association between parenting behavior and somatization in adolescents explained by physiological responses in adolescents
Introduction: This study adds to the knowledge on somatization in adolescents by exploring its relation with parenting behavior and the mediating/moderating role of physiological responses in adolescents to parenting behavior. Method: Eighteen adolescents with high and 18 adolescents with low somatization scores and their mothers completed a discussion task, from which observed parenting behavior scores were derived. Skin conductance in adolescents was measured before and during the discussion. Results: For adolescents with high levels of physiological responses, unadaptive parenting was related to a higher chance of high somatization scores. For low physiologically responsive adolescents, the relation between parenting behavior and somatization was not significant. Conclusion: Parenting behavior is not univocally related to somatization in adolescents, but the association depends on physiological responses in adolescents. (C) 2014 Elsevier B.V. All rights reserved
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