5,970 research outputs found
A TEST OF CONTINGENT MARKET BID ELICITATION PROCEDURES FOR PIECEWISE VALUATION
Economists are frequently faced with the task of valuing commodity package components. The valuation of specific impacts of public policies is a case in point. Two contingent market bid elicitation procedures were tested for valuing changes in single components of multicomponent government program. Results of the test suggested that respondents provided more accurate component to piecewise valuation when a two-step bidding approach, rather than a one-step approach was used. Thus, there is evidence that a two-step approach which helps respondents to isolate valuations for package components is perhaps a preferable bid elicitation procedure for piecewise valuation.Research Methods/ Statistical Methods,
First principles study of local electronic and magnetic properties in pure and electron-doped NdCuO
The local electronic structure of Nd2CuO4 is determined from ab-initio
cluster calculations in the framework of density functional theory.
Spin-polarized calculations with different multiplicities enable a detailed
study of the charge and spin density distributions, using clusters that
comprise up to 13 copper atoms in the CuO2plane. Electron doping is simulated
by two different approaches and the resulting changes in the local charge
distribution are studied in detail and compared to the corresponding changes in
hole doped La2CuO4. The electric field gradient (EFG) at the copper nucleus is
investigated in detail and good agreement is found with experimental values. In
particular the drastic reduction of the main component of the EFG in the
electron-doped material with respect to LaCuO4 is explained by a reduction of
the occupancy of the 3d3z^2-r^2 atomic orbital. Furthermore, the chemical
shieldings at the copper nucleus are determined and are compared to results
obtained from NMR measurements. The magnetic hyperfine coupling constants are
determined from the spin density distribution
Correlation effects in ionic crystals: I. The cohesive energy of MgO
High-level quantum-chemical calculations, using the coupled-cluster approach
and extended one-particle basis sets, have been performed for (Mg2+)n (O2-)m
clusters embedded in a Madelung potential. The results of these calculations
are used for setting up an incremental expansion for the correlation energy of
bulk MgO. This way, 96% of the experimental cohesive energy of the MgO crystal
is recovered. It is shown that only 60% of the correlation contribution to the
cohesive energy is of intra-ionic origin, the remaining part being caused by
van der Waals-like inter-ionic excitations.Comment: LaTeX, 20 pages, no figure
Correlation effects in MgO and CaO: Cohesive energies and lattice constants
A recently proposed computational scheme based on local increments has been
applied to the calculation of correlation contributions to the cohesive energy
of the CaO crystal. Using ab-initio quantum chemical methods for evaluating
individual increments, we obtain 80% of the difference between the experimental
and Hartree-Fock cohesive energies. Lattice constants corrected for correlation
effects deviate by less than 1% from experimental values, in the case of MgO
and CaO.Comment: LaTeX, 4 figure
Influence of electron correlations on ground-state properties of III-V semiconductors
Lattice constants and bulk moduli of eleven cubic III-V semiconductors are
calculated using an ab initio scheme. Correlation contributions of the valence
electrons, in particular, are determined using increments for localized bonds
and for pairs and triples of such bonds; individual increments, in turn, are
evaluated using the coupled cluster approach with single and double
excitations. Core-valence correlation is taken into account by means of a core
polarization potential. Combining the results at the correlated level with
corresponding Hartree-Fock data, we obtain lattice constants which agree with
experiment within an average error of -0.2%; bulk moduli are accurate to +4%.
We discuss in detail the influence of the various correlation contributions on
lattice constants and bulk moduli.Comment: 4 pages, Latex, no figures, Phys. Rev. B, accepte
Ferromagnetic coupling of mononuclear Fe centers in a self-assembled metal-organic network on Au(111)
The magnetic state and magnetic coupling of individual atoms in nanoscale
structures relies on a delicate balance between different interactions with the
atomic-scale surrounding. Using scanning tunneling microscopy, we resolve the
self-assembled formation of highly ordered bilayer structures of Fe atoms and
organic linker molecules (T4PT) when deposited on a Au(111) surface. The Fe
atoms are encaged in a three-dimensional coordination motif by three T4PT
molecules in the surface plane and an additional T4PT unit on top. Within this
crystal field, the Fe atoms retain a magnetic ground state with easy-axis
anisotropy, as evidenced by X-ray absorption spectroscopy and X-ray magnetic
circular dichroism. The magnetization curves reveal the existence of
ferromagnetic coupling between the Fe centers
Cohesive energies of cubic III-V semiconductors
Cohesive energies for twelve cubic III-V semiconductors with zincblende
structure have been determined using an ab-initio scheme. Correlation
contributions, in particular, have been evaluated using the coupled-cluster
approach with single and double excitations (CCSD). This was done by means of
increments obtained for localized bond orbitals and for pairs and triples of
such bonds. Combining these results with corresponding Hartree-Fock data, we
recover about 92 \% of the experimental cohesive energies.Comment: 16 pages, 1 figure, late
Inelastic Diffraction and Spectroscopy of Very Weakly Bound Clusters
We study the coherent inelastic diffraction of very weakly bound two body
clusters from a material transmission grating. We show that internal
transitions of the clusters can lead to new separate peaks in the diffraction
pattern whose angular positions determine the excitation energies. Using a
quantum mechanical approach to few body scattering theory we determine the
relative peak intensities for the diffraction of the van der Waals dimers
(D_2)_2 and H_2-D_2. Based on the results for these realistic examples we
discuss the possible applications and experimental challenges of this coherent
inelastic diffraction technique.Comment: 15 pages + 5 figures. J. Phys. B (in press
Ground-state properties of rutile: electron-correlation effects
Electron-correlation effects on cohesive energy, lattice constant and bulk
compressibility of rutile are calculated using an ab-initio scheme. A
competition between the two groups of partially covalent Ti-O bonds is the
reason that the correlation energy does not change linearly with deviations
from the equilibrium geometry, but is dominated by quadratic terms instead. As
a consequence, the Hartree-Fock lattice constants are close to the experimental
ones, while the compressibility is strongly renormalized by electronic
correlations.Comment: 1 figure to appear in Phys. Rev.
Elliptic Curves over Real Quadratic Fields are Modular
We prove that all elliptic curves defined over real quadratic fields are
modular.Comment: 38 pages. Magma scripts available as ancillary files with this arXiv
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