Search results for "binding"

Mass measurements of $^{56-57}$Cr and the question of shell reincarnation at N = 32

2005

Binding energies determined with high accuracy provide smooth derivatives of the mass surface for analysis of shell and pairing effects. Measurements with the Penning trap mass spectrometer ISOLTRAP at CERN-ISOLDE were made for $^{56-57}$Cr for which an accuracy of 4 $\times 10^{-8}$ was achieved. Analysis of the mass surface for the supposed new N = 32 shell closure rather indicates a sub-shell closure, but of a different nature than known cases such as $^{94}$Sr.

A high statistics lattice calculation of the B-meson binding energy

1996

We present a high statistics lattice calculation of the B--meson binding energy $\overline{\Lambda}$ of the heavy--quark inside the pseudoscalar B--meson. Our numerical results have been obtained from several independent numerical simulations at $\beta=6.0$, $6.2$ and $6.4$, and using, for the meson correlators, the results obtained by the APE group at the same values of $\beta$. Our best estimate, obtained by combining results at different values of $\beta$, is $\overline{\Lambda}=180^{+30}_{-20}$ MeV. For the $\overline{MS}$ running mass, we obtain $\overline{m}_{b}(\overline{m}_{b})=4.15 \pm 0.05 \pm 0.20$ GeV, in reasonable agreement with previous determinations. The systematic error is…

Tight-binding calculation of spin splittings in semiconductor superlattices

1995

Metal valence states inEu0.7NbO3,EuNbO3,andEu2Nb5O9by TB-LMTO-ASA band-structure calculations and resonant photoemission spectroscopy

1998

The electronic structures of ${\mathrm{Eu}}_{2}{\mathrm{Nb}}_{5}{\mathrm{O}}_{9},$ ${\mathrm{EuNbO}}_{3},$ and ${\mathrm{Eu}}_{0.7}{\mathrm{NbO}}_{3}$ have been investigated by photoemission and total-yield spectroscopy with synchrotron radiation, and in the case of ${\mathrm{Eu}}_{2}{\mathrm{Nb}}_{5}{\mathrm{O}}_{9}$ by tight-binding linear muffin-tin orbital (LMTO) band-structure calculations. A central question for reduced europium niobates is that of the valence of Eu and Nb. Both europium and niobium atoms can appear in different valence states so that various electronic configurations in the title compounds are possible. For this reason, the valence band was studied by the resonant Eu…

Density-functional based tight-binding study of small gold clusters

2006

In this paper, we report the ability of self-consistent-charge density-functional based tight-binding method to describe small gold clusters. We concentrate our investigations mainly on anions, and find that the method describes their geometric and electronic structures fairly well, in comparison with density-functional calculations. In particular, the method correctly reproduces the planarity of ground-state structures up to cluster sizes in agreement with experiment and density-functional theory.

Effects of the Surface and Finite Temperature on the Electronic Structure of Metal Clusters

1996

The most fascinating feature of simple metal clusters is the existence of the electronic shell structure. This was observed first in alkali[1] and noble metals[2] and later also in some other nontransition metals[3,4,5]. The shell structure is a consequence of nearly free valence electrons confined to a finite volume. A spherical potential will always lead to a shell structure, the origin of which is the orbital angular momentum l and the large degeneracy (2l+1) associated with it. However, this primitive shell structure is strengthened by ’accidental’ degeneracies between states having different principal quantum numbers. Thus the shell structure of a hydrogen atom is different from that o…

Level-spacing distribution in the tight-binding model of fcc clusters.

1993

A lattice-gas Monte Carlo method is used to simulate metallic fcc clusters at finite temperatures. A tight-binding model including s and p electrons has been derived for reproducing the free-electron-like energy band for the bulk metal and this model is used for calculating the electronic structures of the fcc cluster. The resulting level-spacing distribution at the Fermi energy is a Wigner distribution. The width of the distribution in small clusters is smaller than that calculated from the bulk density of states. In the lattice gas clusters the energy gaps related to the electronic magic numbers do not show up at the Fermi level. The energy between the last occupied and the first unoccupi…

Mapping CO diffusion paths in Myoglobin with the Single Sweep Method

2010

The pathways of diffusion and escape of a CO molecule inside and out a myoglobin protein are investigated. Specifically, the three-dimensional potential of mean force (PMF or free energy) of the CO molecule position inside the protein is calculated by using the single-sweep method in concert with fully resolved atomistic simulations in explicit solvent.The results are interpreted under the assumption that the diffusion of the ligand can be modeled as a navigation on the PMF in which the ligand hops between the PMF local minima following the minimum free energy paths (MFEPs) with rates set by the free energy barriers that need to be crossed. We calculate all these quantities --local minima, …

HITRAP: A Facility for Experiments with Trapped Highly Charged Ions

2001

HITRAP is a planned ion trap facility for capturing and cooling of highly charged ions produced at GSI in the heavy-ion complex of the UNILAC-SIS accelerators and the ESR storage ring. In this facility heavy highly charged ions up to uranium will be available as bare nuclei, hydrogenlike ions or few-electron systems at low temperatures. The trap for receiving and studying these ions is designed for operation at extremely high vacuum by cooling to cryogenic temperatures. The stored highly charged ions can be investigated in the trap itself or can be extracted from the trap at energies up to about 10 keV/q. The proposed physics experiments are collision studies with highly charged ions at wel…

Ligand-binding assays with OBPs and CSPs

2020

Assessing the ligand-binding properties of OBPs and CSPs is essential for understanding their physiological function. It also provides basic information when these proteins are used as biosensing elements for instrumental measurement of odors. Although different approaches have been applied in the past to evaluate the affinity of receptors and soluble binding proteins to their ligands, using a fluorescent reporter represents the method of choice for OBPs and CSPs. It offers the advantages of working at the equilibrium, being simple, fast and inexpensive, without requiring the use of radioactive tracers. However, as an indirect method, the fluorescence competitive binding approach presents d…