Soft X-ray Spectroscopy Simulations with Multiconfigurational Wave Function Theory: Spectrum Completeness, Sub-eV Accuracy, and Quantitative Reproduction of Line Shapes
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.1c00566
Abstract: Multireference methods are known for their ability to accurately treat states of very different nature in many molecular systems, facilitating high-quality simulations of a large variety of spectroscopic techniques. Here, we couple the multiconfigurational restricted… read more here.
Keywords: ray spectroscopy; soft ray; spectroscopy; line shapes ... See more keywords
Molecular dynamic simulations of N2-broadened methane line shapes and comparison with experiments
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Chemical Physics"
DOI: 10.1063/1.4976978
Abstract: Absorption spectra of methane transitions broadened by nitrogen have been calculated for the first time using classical molecular dynamic simulations. For that, the time evolution of the auto-correlation function of the dipole moment vector, assumed… read more here.
Keywords: dynamic simulations; broadened methane; methane line; line shapes ... See more keywords
Absolute energies and emission line shapes of the L x-ray transitions of lanthanide metals
Sign Up to like & getrecommendations! Published in 2021 at "Metrologia"
DOI: 10.1088/1681-7575/abd28a
Abstract: We use an array of transition-edge sensors, cryogenic microcalorimeters with 4 eV energy resolution, to measure L x-ray emission-line profiles of four elements of the lanthanide series: praseodymium, neodymium, terbium, and holmium. The spectrometer also… read more here.
Keywords: emission line; line; energy; reference ... See more keywords
Nuclear magnetic resonance line shapes of Wigner crystals in C 13 -enriched graphene
Sign Up to like & getrecommendations! Published in 2017 at "Physical Review B"
DOI: 10.1103/physrevb.95.235411
Abstract: Assuming that the nuclear magnetic resonance (NMR) signal from a $^{13}$C isotope enriched layer of graphene can be made sufficiently intense to be measured, we compute the NMR\ lineshape of the different crystals ground states… read more here.
Keywords: nuclear magnetic; line; magnetic resonance; wigner ... See more keywords
Spin partners WbJ from the line shapes of the Zb(10610) and Zb(10650)
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review D"
DOI: 10.1103/physrevd.99.094013
Abstract: In a recent paper Phys.Rev. D98, 074023 (2018), the most up-to-date experimental data for all measured production and decay channels of the bottomonium-like states $Z_b(10610)$ and $Z_b(10650)$ were analysed in a field-theoretical coupled-channel approach which… read more here.
Keywords: spin partners; wbj line; 10610 10650; partners wbj ... See more keywords
Effect of Non-Markovian Collisions on Measured Integrated Line Shapes of CO.
Sign Up to like & getrecommendations! Published in 2023 at "Physical review letters"
DOI: 10.1103/physrevlett.130.143001
Abstract: Using cavity ring-down spectroscopy to probe R-branch transitions of CO in N_{2}, we show that the spectral core of the line shapes associated with the first few rotational quantum numbers, J, can be accurately modeled… read more here.
Keywords: effect non; line shapes; non markovian; integrated line ... See more keywords
Methods for Line Shapes in Plasmas in the Presence of External Electric Fields
Sign Up to like & getrecommendations! Published in 2021 at "Atoms"
DOI: 10.3390/atoms9020030
Abstract: Line broadening is usually dominated by interactions of an atomic system with a stochastic, random medium. When, in addition to the random medium, a non-random field (such as a laser) is applied, the line profile… read more here.
Keywords: shapes plasmas; line; presence external; plasmas presence ... See more keywords
The Coulomb Symmetry and a Universal Representation of Rydberg Spectral Line Shapes in Magnetized Plasmas
Sign Up to like & getrecommendations! Published in 2020 at "Symmetry"
DOI: 10.3390/sym12111922
Abstract: A new method of line shape calculations of hydrogen-like atoms in magnetized plasmas is presented. This algorithm makes it possible to solve two fundamental problems in the broadening theory: the analytical description of the radiation… read more here.
Keywords: line; line shape; line shapes; symmetry ... See more keywords