Search results for "Energy level"
showing 10 items of 260 documents
Unravelling the kinetics and molecular mechanism of the degenerate Cope rearrangement of bullvalene
2020
The kinetics and molecular mechanism of the gas phase degenerate Cope rearrangement (DCR) of bullvalene have been investigated by applying quantum mechanical calculations. Highly accurate energies (CBS-QB3 and CBS-APNO) and RRKM calculations were employed to study the kinetics and ‘fall-off’ behavior. It was found that the DCR of bullvalene (C3v) occurs through a bishomoaromatic transition structure (C2v) with an energy barrier of ∼49 kJ mol−1. The calculated activation energy and enthalpy were in good agreement with the available values in the literature, but lower than those of common Cope rearrangement; this result is related to the high stabilization energy due to the interaction of the…
The minimum mean cycle-canceling algorithm for linear programs
2022
Abstract This paper presents the properties of the minimum mean cycle-canceling algorithm for solving linear programming models. Originally designed for solving network flow problems for which it runs in strongly polynomial time, most of its properties are preserved. This is at the price of adapting the fundamental decomposition theorem of a network flow solution together with various definitions: that of a cycle and the way to calculate its cost, the residual problem, and the improvement factor at the end of a phase. We also use the primal and dual necessary and sufficient optimality conditions stated on the residual problem for establishing the pricing step giving its name to the algorith…
Łojasiewicz exponents, the integral closure of ideals and Newton polyhedra
2003
We give an upper estimate for the Łojasiewicz exponent $\ell(J,I)$ of an ideal $J\subseteq A(K^{n})$ with respect to another ideal I in the ring $A(K^{n})$ of germs analytic functions $f$ : $(K^{n},\mathrm{O})\rightarrow K$ , where $K=C$ or $R$ , using Newton polyhedrons. In particular, we give a method to estimate the Łojasiewicz exponent $\alpha_{0}(f)$ of a germ $f\in A(K^{n})$ that can be applied when $f$ is Newton degenerate with respect to its Newton polyhedron.
Evidence of oblate-prolate shape coexistence in the strongly-deformed nucleus 119Cs
2021
International audience; Prolate-oblate shape coexistence close to the ground state in the strongly-deformed proton-rich A≈120 nuclei is reported for the first time. One of the four reported bands in 119Cs, built on a 11/2− state at 670 keV, consists of nearly degenerate signature partners, and has properties which unequivocally indicate the strongly-coupled πh11/2[505]11/2− configuration associated with oblate shape. Together with the decoupled πh11/2[541]3/2− band built on the 11/2− prolate state at 110 keV, for which a half-life of T1/2=55(5)μs has been measured, the new bands bring evidence of shape coexistence at low spin in the proton-rich strongly deformed A≈120 nuclei, a phenomenon p…
Ab initio calculations of pure and Co+2-doped MgF2 crystals
2020
This research was partly supported by the Kazakhstan Science Project № AP05134367«Synthesis of nanocrystals in track templates of SiO2/Si for sensory, nano- and optoelectronic applications», as well as by Latvian Research Council project lzp-2018/1-0214. Calculations were performed on Super Cluster (LASC) in the Institute of Solid State Physics (ISSP) of the University of Latvia. Authors are indebted to S. Piskunov for stimulating discussions.
Detection of 4T1(P) quartet of Co2+ in Zn99.95Co0.05Se monocrystal by optical absorption spectroscopy
2003
Abstract Optical absorption spectra of Zn 99.95 Co 0.05 Se were recorded at 25 K. The thickness and the concentration of cobalt were adjusted to obtain sharp d–d ∗ transitions of Co 2+ corresponding not only to multiplets of 4 T 1 (P) but also to higher excited states. For the first time, a very weak quartet splitting of 4 T 1 (P) state was clearly observed and these states were located between 1.464 and 1.517 eV. Higher series of energy states were found to lie in the range 1.98–2.108 eV which are expected on the basis of theoretical calculations but were not detected before and they were tentatively assigned to a lower multiplet of 2G configuration of free ion. The next series of transiti…
Hard x-ray photoelectron spectroscopy of buried Heusler compounds
2009
This work reports on high energy photoelectron spectroscopy from the valence band of buried Heusler thin films (Co2MnSi and Co2FeAl0.5Si0.5) excited by photons of about 6?keV energy. The measurements were performed on thin films covered by MgO and SiOx with different thicknesses from 1 to 20?nm of the insulating layer and additional AlOx or Ru protective layers. It is shown that the insulating layer does not affect the high energy spectra of the Heusler compound close to the Fermi energy. The high resolution measurements of the valence band close to the Fermi energy indicate a very large electron mean free path of the electrons through the insulating layer. The spectra of the buried thin fi…
Continuity of solutions of linear, degenerate elliptic equations
2009
We consider the simplest form of a second order, linear, degenerate, divergence structure equation in the plane. Under an integrability condition on the degenerate function, we prove that the solutions are continuous.
Ultracold Rare-Earth Magnetic Atoms with an Electric Dipole Moment
2018
We propose a new method to produce an electric and magnetic dipolar gas of ultracold dysprosium atoms. The pair of nearly degenerate energy levels of opposite parity, at 17513.33 cm$^{-1}$ with electronic angular momentum $J=10$, and at 17514.50 cm$^{-1}$ with $J=9$, can be mixed with an external electric field, thus inducing an electric dipole moment in the laboratory frame. For field amplitudes relevant to current-day experiments, we predict a magnetic dipole moment up to 13 Bohr magnetons, and an electric dipole moment up to 0.22 Debye, which is similar to the values obtained for alkali-metal diatomics. When a magnetic field is present, we show that the electric dipole moment is strongly…
Wulff shape characterizations in overdetermined anisotropic elliptic problems
2017
We study some overdetermined problems for possibly anisotropic degenerate elliptic PDEs, including the well-known Serrin's overdetermined problem, and we prove the corresponding Wulff shape characterizations by using some integral identities and just one pointwise inequality. Our techniques provide a somehow unified approach to this variety of problems.