55 research outputs found
Calculation of ground- and excited-state energies of confined helium atom
We calculate the energies of ground and three low lying excited states of
confined helium atom centered in an impenetrable spherical box. We perform the
calculation by employing variational method with two-parameter variational
forms for the correlated two-particle wave function. With just two variational
parameters we get quite accurate results for both ground and excited state
energies.Comment: 13 pages, No figur
Density-functional embedding using a plane-wave basis
The constrained electron density method of embedding a Kohn-Sham system in a
substrate system (first described by P. Cortona, Phys. Rev. B {\bf 44}, 8454
(1991) and T.A. Wesolowski and A. Warshel, J. Phys. Chem {\bf 97}, 8050 (1993))
is applied with a plane-wave basis and both local and non-local
pseudopotentials. This method divides the electron density of the system into
substrate and embedded electron densities, the sum of which is the electron
density of the system of interest. Coupling between the substrate and embedded
systems is achieved via approximate kinetic energy functionals. Bulk aluminium
is examined as a test case for which there is a strong interaction between the
substrate and embedded systems. A number of approximations to the
kinetic-energy functional, both semi-local and non-local, are investigated. It
is found that Kohn-Sham results can be well reproduced using a non-local
kinetic energy functional, with the total energy accurate to better than 0.1 eV
per atom and good agreement between the electron densities.Comment: 11 pages, 4 figure
Agricultural Productivity Growth, Efficiency Change and Technical Progress in Latin America and the Caribbean
Opening a new window to other worlds with spectropolarimetry
A high level of diversity has already been observed among the planets of our
own Solar System. As such, one expects extrasolar planets to present a wide
range of distinctive features, therefore the characterisation of Earth- and
super Earth-like planets is becoming of key importance in scientific research.
The SEARCH (Spectropolarimetric Exoplanet AtmospheRe CHaracerisation) mission
proposal of this paper represents one possible approach to realising these
objectives. The mission goals of SEARCH include the detailed characterisation
of a wide variety of exoplanets, ranging from terrestrial planets to gas
giants. More specifically, SEARCH will determine atmospheric properties such as
cloud coverage, surface pressure and atmospheric composition, and may also be
capable of identifying basic surface features. To resolve a planet with a semi
major axis of down to 1.4AU and 30pc distant SEARCH will have a mirror system
consisting of two segments, with elliptical rim, cut out of a parabolic mirror.
This will yield an effective diameter of 9 meters along one axis. A phase mask
coronagraph along with an integral spectrograph will be used to overcome the
contrast ratio of star to planet light. Such a mission would provide invaluable
data on the diversity present in extrasolar planetary systems and much more
could be learned from the similarities and differences compared to our own
Solar System. This would allow our theories of planetary formation, atmospheric
accretion and evolution to be tested, and our understanding of regions such as
the outer limit of the Habitable Zone to be further improved.Comment: 23 pages, accepted for publication in Experimental Astronom
A Continental-Wide Perspective: The Genepool of Nuclear Encoded Ribosomal DNA and Single-Copy Gene Sequences in North American Boechera (Brassicaceae)
74 of the currently accepted 111 taxa of the North American genus Boechera (Brassicaceae) were subject to pyhlogenetic reconstruction and network analysis. The dataset comprised 911 accessions for which ITS sequences were analyzed. Phylogenetic analyses yielded largely unresolved trees. Together with the network analysis confirming this result this can be interpreted as an indication for multiple, independent, and rapid diversification events. Network analyses were superimposed with datasets describing i) geographical distribution, ii) taxonomy, iii) reproductive mode, and iv) distribution history based on phylogeographic evidence. Our results provide first direct evidence for enormous reticulate evolution in the entire genus and give further insights into the evolutionary history of this complex genus on a continental scale. In addition two novel single-copy gene markers, orthologues of the Arabidopsis thaliana genes At2g25920 and At3g18900, were analyzed for subsets of taxa and confirmed the findings obtained through the ITS data
Agriculture productivity growth: Is the current trend on the track to poverty reduction?
Copyright © 2004 by Valenzuela, Ivanic, Ludena, and Hertel. All rights reserved.http://ageconsearch.umn.edu/handle/1915
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Reciprocal introgression between wild and cultivated peach palm (Bactris gasipaes Kunth, Aracaceae) in Western Ecuador.
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