Search results for "Spectral"
showing 10 items of 3116 documents
On Computability of Decaying and Nondecaying States in Quantum Systems with Cantor Spectra
2003
We study Hamiltonians with singular spectra of Cantor type with a constant ratio of dissection. The decay properties of the states in such systems depend on the nature of the dissection rate that can be characterized in terms of the algebraic number theory. We show that in spite of simplicity of the considered model the computational modeling of nondecaying states is in general impossible.
Multi-domain spectral approach with Sommerfeld condition for the Maxwell equations
2021
We present a multidomain spectral approach with an exterior compactified domain for the Maxwell equations for monochromatic fields. The Sommerfeld radiation condition is imposed exactly at infinity being a finite point on the numerical grid. As an example, axisymmetric situations in spherical and prolate spheroidal coordinates are discussed.
Electron spin polarization in the photoemission of NEA GaAs1?x P x
1982
Negative electron affinity GaAs1−xPx-photocathodes emit spin-polarized electrons if irradiated with circularly polarized light. The spectra of spin polarization of photoelectrons emitted from crystals with different phosphorus contentx resemble each other in shape but shift to shorter wavelengths with increasingx. Polarization values up to 40% are observed for electrons from crystals withx=0 andx=0.38. Cathodes with higher phosphorus contents increasing fromx=0.65 tox=0.87 and tox = 1.0 deliver photoelectrons with decreasing degrees of spin polarization of 17%, 15%, and 9%, respectively, at maximum.
A thin absorbing layer at the center of a Fabry-Pérot interferometer
1994
The influence of a dye (Rhodamin B) dissolved in solution or adsorbed at an interface at the center of a Fabry-Perot interferometer on the transmission was investigated both experimentally and theoretically. We show that (i) spectra of extremely thin films are measurable at sub-monolayer concentration (one monolayer reduces the transmission by ≃50%), (ii) the transmission is sensitive to the location of an extremely thin film within nm range and (iii) the absorption coefficient is determined quantitatively by comparison between theory and experiment thus permitting one to estimate the local concentration. The results are relevant for the use of dye probes to monitor changes of organic inter…
Composite quantum collision models
2017
A collision model (CM) is a framework to describe open quantum dynamics. In its {\it memoryless} version, it models the reservoir $\mathcal R$ as consisting of a large collection of elementary ancillas: the dynamics of the open system $\mathcal{S}$ results from successive "collisions" of $\mathcal{S}$ with the ancillas of $\mathcal R$. Here, we present a general formulation of memoryless {\it composite} CMs, where $\mathcal S$ is partitioned into the very open system under study $S$ coupled to one or more auxiliary systems $\{S_i\}$. Their composite dynamics occurs through internal $S$-$\{S_i\}$ collisions interspersed with external ones involving $\{S_i\}$ and the reservoir $\mathcal R$. W…
Frequency Range Selection Method for Vibrational Spectra
2018
Theoretical calculations of vibrational properties are widely used to explain and predict experimental spectra. However, with standard quantum chemical methods all molecular motions are considered, which is rather time-consuming for large molecules. Because typically only a specific spectral region is of experimental interest, we propose here an efficient method that allows calculation of only a selected frequency interval. After a computationally cheap low-level estimate of the molecular motions, the computational time is proportional to the number of normal modes needed to describe this frequency range. Results for a medium-sized molecule show a reduction in computational time of up to 1 …
First analysis of the ν3+ν5 combination band of SF6 observed at Doppler-limited resolution and effective model for the ν3+ν5-ν5 hot band
2018
Abstract Sulfur hexafluoride is a greenhouse gas with a long lifetime in the atmosphere and an important tracer for air mass circulation atmospheric models. The IR spectrum of this heavy species, however, features many hot bands at room temperature (at which only 30% of the molecules lie in the ground vibrational state), especially those originating from the lowest, v 6 and v 5 = 1 vibrational states. Using a cryogenic long path cell with variable optical path length and temperatures regulated between 168 and 163 K, coupled to Synchrotron Radiation and a high resolution interferometer, Doppler-limited spectra of the very weak ν 3 + ν 5 band near 1450 cm−1 have been recorded. Low temperature…
Observation and analysis of the SF6 ν2+ν4−ν5 band: Improved parameters for the v5= 1 state
2016
Abstract In this paper, we present the high resolution analysis of the weak ν 2 + ν 4 - ν 5 band of SF6 around 735 cm−1. The spectra were recorded on the AILES Beamline at the SOLEIL Synchrotron facility using a cryogenic multipass cell coupled to a Bruker 125HR spectrometer with a maximum resolution of 0.00102 cm−1. For this band, we worked with 4 mbar of SF6 at a temperature of 223 ± 2 K. The optical path length was fixed to 141 m and the spectrum recorded with 0.001 cm−1 of resolution. A new, cold spectrum of the ν 2 + ν 4 band was also collected at 153 K, 15-m path length, and 0.0015 cm−1 resolution. The analysis was performed by using the Dijon group XTDS and SPVIEW software, based on…
Energy and radiative properties of the (3)Π1 and (5)Σ+1 states of RbCs: Experiment and theory
2017
We combined high-resolution Fourier-transform spectroscopy and large-scale electronic structure calculation to study energy and radiative properties of the high-lying $(3)^{1}\mathrm{\ensuremath{\Pi}}$ and $(5)^{1}\mathrm{\ensuremath{\Sigma}}^{+}$ states of the RbCs molecule. The laser-induced $(5)^{1}\mathrm{\ensuremath{\Sigma}}^{+},(4)^{1}\mathrm{\ensuremath{\Sigma}}^{+},(3)^{1}\mathrm{\ensuremath{\Pi}}\ensuremath{\rightarrow}A(2)^{1}\mathrm{\ensuremath{\Sigma}}^{+}\ensuremath{\sim} b(1)^{3}\mathrm{\ensuremath{\Pi}}$ fluorescence (LIF) spectra were recorded by the Bruker IFS-125(HR) spectrometer in the frequency range $\ensuremath{\nu}\ensuremath{\in}[5500,10\phantom{\rule{0.16em}{0ex}}00…
Jet-cooled FTIR spectroscopy and analysis of the C–O stretch fundamental of Ni(CO)4
2008
Rovibrational spectra of the C–O stretch band (ν5) of Ni(CO)4 have been recorded at 0.006 cm− 1 resolution by coupling a low pressure continuous supersonic jet with a high resolution interferometer. The spectrum has been analysed thanks to the STDS software (see http://icb.u-bourgogne.fr/OMR/SMA/SHTDS/) that implements the tensorial formalism developed in the Dijon group for tetrahedral molecules. We obtain a very satisfying simulation thanks to an effective Hamiltonian expanded up to order 3. The asymmetry of the high-J lines is due to a small tetrahedral splitting and is well reproduced. The root mean square deviation is 0.96 × 10− 3 cm− 1. The Coriolis constant is somewhat larger than fo…