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Assessing Excited State Methods by Adiabatic Excitation Energies
Journal of Chemical Theory and Computation, 2011We compile a 109-membered benchmark set of adiabatic excitation energies (AEEs) from high-resolution gas-phase experiments. Our data set includes a variety of organic chromophores with up to 46 atoms, radicals, and inorganic transition metal compounds.
Robert, Send +2 more
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Il Nuovo Cimento A, 1996
Excited states of209Bi have been studied via the209Bi(n,n′γ) reaction for incident neutron energies from 1510 keV to 4335 keV. From the analysis of the γ-ray spectra a detailed level and decay scheme was constructed up to the excitation energy of 4001.3 keV. Level spins and parities were deduced on the basis of extensive comparison between the measured
F. Demanins, F. Raicich
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Excited states of209Bi have been studied via the209Bi(n,n′γ) reaction for incident neutron energies from 1510 keV to 4335 keV. From the analysis of the γ-ray spectra a detailed level and decay scheme was constructed up to the excitation energy of 4001.3 keV. Level spins and parities were deduced on the basis of extensive comparison between the measured
F. Demanins, F. Raicich
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Zeitschrift für Physik A: Atoms and Nuclei, 1984
Excited states of124Xe have been investigated via the122Te(α, 2n),114Cd(13C, 3n) and108Pd(19F, p2n) reactions using in-beam gamma-ray and electron spectroscopy methods. 36 new levels and several spin and parity assignments were established, revealing the existence of at least one positive parity superband and two negative parity bands, one of them ...
W. Gast +9 more
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Excited states of124Xe have been investigated via the122Te(α, 2n),114Cd(13C, 3n) and108Pd(19F, p2n) reactions using in-beam gamma-ray and electron spectroscopy methods. 36 new levels and several spin and parity assignments were established, revealing the existence of at least one positive parity superband and two negative parity bands, one of them ...
W. Gast +9 more
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Nuclear Physics B - Proceedings Supplements, 2003
The status of excited B-meson and b-baryon states is reviewed and new, preliminary analyses on Bu, d∗∗, Bs∗∗ and Σb(∗) are presented.
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The status of excited B-meson and b-baryon states is reviewed and new, preliminary analyses on Bu, d∗∗, Bs∗∗ and Σb(∗) are presented.
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1994
In the previous chapters we have discussed in much detail the influence of strong magnetic fields on low-lying states. The crucial point in the whole discussion was that the atoms were allowed to be exposed to magnetic fields of such strengths as to make the effects of the magnetic field of the same order of magnitude as, or even larger than, the ...
Hanns Ruder +3 more
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In the previous chapters we have discussed in much detail the influence of strong magnetic fields on low-lying states. The crucial point in the whole discussion was that the atoms were allowed to be exposed to magnetic fields of such strengths as to make the effects of the magnetic field of the same order of magnitude as, or even larger than, the ...
Hanns Ruder +3 more
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Current Opinion in Solid State and Materials Science, 1996
Abstract Recent progress in theoretical simulations of processes induced by electronic excitation in insulating solids has contributed to our understanding of some of the basic steps of the exciton self-trapping, recombination luminescence, radiation defect creation, photo-desorption and interaction between defects in various large bandgap materials.
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Abstract Recent progress in theoretical simulations of processes induced by electronic excitation in insulating solids has contributed to our understanding of some of the basic steps of the exciton self-trapping, recombination luminescence, radiation defect creation, photo-desorption and interaction between defects in various large bandgap materials.
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2010
The phenomenological theory of optical properties of materials is presented.The general theory of calculations of optical properties from first principlestheory is given, with special emphasis on the implementation in the FP-LMTOmethod. Numerical examples of semi-conductors as well as metals are presented.
John M. Wills +5 more
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The phenomenological theory of optical properties of materials is presented.The general theory of calculations of optical properties from first principlestheory is given, with special emphasis on the implementation in the FP-LMTOmethod. Numerical examples of semi-conductors as well as metals are presented.
John M. Wills +5 more
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1992
The analysis of the fragmentation of tetramethyl-1,2-dioxetane at the end of the preceding chapter, in which three competing processes had to be considered, foreshadows the difficulty of applying the criteria of symmetry conservation to the much more complex reactions that originate in an excited state of the reactant.
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The analysis of the fragmentation of tetramethyl-1,2-dioxetane at the end of the preceding chapter, in which three competing processes had to be considered, foreshadows the difficulty of applying the criteria of symmetry conservation to the much more complex reactions that originate in an excited state of the reactant.
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Machine Learning for Electronically Excited States of Molecules
Chemical Reviews, 2021Julia Westermayr, Philipp Marquetand
exaly