2,571 research outputs found
Exhaustive generation of -critical -free graphs
We describe an algorithm for generating all -critical -free
graphs, based on a method of Ho\`{a}ng et al. Using this algorithm, we prove
that there are only finitely many -critical -free graphs, for
both and . We also show that there are only finitely many
-critical graphs -free graphs. For each case of these cases we
also give the complete lists of critical graphs and vertex-critical graphs.
These results generalize previous work by Hell and Huang, and yield certifying
algorithms for the -colorability problem in the respective classes.
Moreover, we prove that for every , the class of 4-critical planar
-free graphs is finite. We also determine all 27 4-critical planar
-free graphs.
We also prove that every -free graph of girth at least five is
3-colorable, and determine the smallest 4-chromatic -free graph of
girth five. Moreover, we show that every -free graph of girth at least
six and every -free graph of girth at least seven is 3-colorable. This
strengthens results of Golovach et al.Comment: 17 pages, improved girth results. arXiv admin note: text overlap with
arXiv:1504.0697
Benchmarking common quantification strategies for large-scale phosphoproteomics
Quantitative phosphoproteomics has become a standard method in molecular and cell biology. Here, the authors compare performance and parameters of phosphoproteome quantification by LFQ, SILAC, and MS2-/MS3-based TMT and introduce a TMT-adapted algorithm for calculating phosphorylation site stoichiometry
Isoflavones in Legumes as Functional Forages and Feeds in Ruminant Grazing Systems
Legumes are often utilized in livestock grazing systems to improve diet quality, diversity, and consequently animal performance. In addition to their nutritional utility, legumes contain phytoestrogenic isoflavones that have selective antimicrobial activity in the rumen and once absorbed can cause arterial vasodilation. These added bioactive functions of isoflavones suggest that legumes could be strategically utilized in grazing systems as functional forages to improve ruminant performance and health. The objective of this presentation will be to discuss past and current research on the application of isoflavones via legumes as an antimicrobial for growth promotion and as a mitigation strategy for fescue toxicosis in grazing ruminants
Analysis of OPM potentials for multiplet states of 3d transition metal atoms
We apply the optimized effective potential method (OPM) to the multiplet
energies of the 3d transition metal atoms, where the orbital dependence of
the energy functional with respect to orbital wave function is the
single-configuration HF form. We find that the calculated OPM exchange
potential can be represented by the following two forms. Firstly, the
difference between OPM exchange potentials of the multiplet states can be
approximated by the linear combination of the potentials derived from the
Slater integrals and for the average
energy of the configuration. Secondly, the OPM exchange potential can be
expressed as the linear combination of the OPM exchange potentials of the
single determinants.Comment: 15 pages, 6 figures, to be published in J. Phys.
First-principles calculations of the self-trapped exciton in crystalline NaCl
The atomic and electronic structure of the lowest triplet state of the
off-center (C2v symmetry) self-trapped exciton (STE) in crystalline NaCl is
calculated using the local-spin-density (LSDA) approximation. In addition, the
Franck-Condon broadening of the luminescence peak and the a1g -> b3u absorption
peak are calculated and compared to experiment. LSDA accurately predicts
transition energies if the initial and final states are both localized or
delocalized, but 1 eV discrepancies with experiment occur if one state is
localized and the other is delocalized.Comment: 4 pages with 4 embeddded figure
Direct Minimization Generating Electronic States with Proper Occupation Numbers
We carry out the direct minimization of the energy functional proposed by
Mauri, Galli and Car to derive the correct self-consistent ground state with
fractional occupation numbers for a system degenerating at the Fermi level. As
a consequence, this approach enables us to determine the electronic structure
of metallic systems to a high degree of accuracy without the aid of level
broadening of the Fermi-distribution function. The efficiency of the method is
illustrated by calculating the ground-state energy of C and Si
molecules and the W(110) surface to which a tungsten adatom is adsorbed.Comment: 4 pages, 4 figure
Point defects, ferromagnetism and transport in calcium hexaboride
The formation energy and local magnetic moment of a series of point defects
in CaB are computed using a supercell approach within the generalized
gradient approximation to density functional theory. Based on these results,
speculations are made as to the influence of these defects on electrical
transport. It is found that the substitution of Ca by La does not lead to the
formation of a local moment, while a neutral B vacancy carries a moment of
2.4 Bohr magnetons, mostly distributed over the six nearest-neighbour B atoms.
A plausible mechanism for the ferromagnetic ordering of these moments is
suggested. Since the same broken B-B bonds appear on the preferred (100)
cleavage planes of the CaB structure, it is argued that internal surfaces
in polycrystals as well as external surfaces in general will make a large
contribution to the observed magnetization.Comment: Calculated defect formation energies had to be corrected, due to the
use of a wrong reference energy for the perfect crystal in the original pape
Quantum-mechanical calculation of H on Ni(001) using a model potential based on first-principles calculations
Surface relaxation and ferromagnetism of Rh(001)
The significant discrepancy between first-principles calculations and
experimental analyses for the relaxation of the (001) surface of rhodium has
been a puzzle for some years. In this paper we present density functional
theory calculations using the local-density approximation and the generalized
gradient approximation of the exchange-correlation functional. We investigate
the thermal expansion of the surface and the possibility of surface magnetism.
The results throw light on several, hitherto overlooked, aspects of metal
surfaces. We find, that, when the free energy is considered, density-functional
theory provides results in good agreement with experiments.Comment: 6 pages, 4 figures, submitted to Phys. Rev. Lett. (April 28, 1996
- …