cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.1012213
title: Percentage of trapped atoms (i) and (ii) and atoms that escape from the circular lattice (iii) depending on the centre of the initial atom distribution: (i) the trajectories take place within one lobe in the <em>XY</em>-plane and one well in the <em>z</em>-axis; (ii) the trapped trajectory involves more than one lobe in the <em>XY</em>-plane and, in most cases, also more than one lobe in the <em>z</em>-axis

description: <b>Table 1.</b> Percentage of trapped atoms (i) and (ii) and atoms that escape from the circular lattice (iii) depending on the centre of the initial atom distribution: (i) the trajectories take place within one lobe in the <em>XY</em>-plane and one well in the <em>z</em>-axis; (ii) the trapped trajectory involves more than one lobe in the <em>XY</em>-plane and, in most cases, also more than one lobe in the <em>z</em>-axis. The parameters of the beam and its coupling to the atom are <em>l</em> = 2, <em>k</em><sub>⊥</sub> = 0.66 μm<sup>−1</sup>, <em>g</em><sub>peak</sub> = 47.5 Γ, δ = 62.54 GHz. <strong>Abstract</strong> We characterize the semiclassical dynamics of dilute thermal atom clouds located in three-dimensional optical lattices generated by stationary optical Bessel beams. The dynamics of the cold atoms is explored in the quasi-Hamiltonian regime that arises using laser beams with far-off resonance detuning. Although the transverse structure of Bessel beams exhibits a complex topological structure, it is found that the longitudinal motion along the main propagation axis of the beam is the detonator of a high sensitivity of the atoms' motion to the initial conditions. This effect would not be properly described by bidimensional models. We show that an experimental implementation can be highly simplified by an analysis of the behaviour of the dynamical system under scale transformations. Experimentally feasible signatures of the chaotic dynamics of the atom clouds are also identified.
DOI: 10.6084/m9.figshare.1012213.v1
title: Percentage of trapped atoms (i) and (ii) and atoms that escape from the circular lattice (iii) depending on the centre of the initial atom distribution: (i) the trajectories take place within one lobe in the <em>XY</em>-plane and one well in the <em>z</em>-axis; (ii) the trapped trajectory involves more than one lobe in the <em>XY</em>-plane and, in most cases, also more than one lobe in the <em>z</em>-axis

description: <b>Table 1.</b> Percentage of trapped atoms (i) and (ii) and atoms that escape from the circular lattice (iii) depending on the centre of the initial atom distribution: (i) the trajectories take place within one lobe in the <em>XY</em>-plane and one well in the <em>z</em>-axis; (ii) the trapped trajectory involves more than one lobe in the <em>XY</em>-plane and, in most cases, also more than one lobe in the <em>z</em>-axis. The parameters of the beam and its coupling to the atom are <em>l</em> = 2, <em>k</em><sub>⊥</sub> = 0.66 μm<sup>−1</sup>, <em>g</em><sub>peak</sub> = 47.5 Γ, δ = 62.54 GHz. <strong>Abstract</strong> We characterize the semiclassical dynamics of dilute thermal atom clouds located in three-dimensional optical lattices generated by stationary optical Bessel beams. The dynamics of the cold atoms is explored in the quasi-Hamiltonian regime that arises using laser beams with far-off resonance detuning. Although the transverse structure of Bessel beams exhibits a complex topological structure, it is found that the longitudinal motion along the main propagation axis of the beam is the detonator of a high sensitivity of the atoms' motion to the initial conditions. This effect would not be properly described by bidimensional models. We show that an experimental implementation can be highly simplified by an analysis of the behaviour of the dynamical system under scale transformations. Experimentally feasible signatures of the chaotic dynamics of the atom clouds are also identified.
DOI: 10.6084/m9.figshare.1012141
title: Parameters <em>d</em> and <em>K</em> of the GSZ potential for the different targets considered, extracted from [20]

description: <b>Table 1.</b> Parameters <em>d</em> and <em>K</em> of the GSZ potential for the different targets considered, extracted from [20]. <strong>Abstract</strong> A complete formulation of the <em>post</em>-version of the continuum distorted wave-eikonal initial state (CDW-EIS) model is used to investigate single ionization of multishell atoms by fast bare proton beams. The influence of the non-ionized electrons on the dynamic evolution is studied for each of the different shells of the targets. Its inclusion was made by means of the parametric Green–Sellin–Zachor potential. In this way, it is shown that discrepancies between the <em>prior-</em> and <em>post</em>-versions of the CDW-EIS model are avoided for any <em>nl</em> states of the systems studied here. The present analysis is supported by comparisons with existing experimental electron emission spectra.
DOI: 10.6084/m9.figshare.1012141.v1
title: Parameters <em>d</em> and <em>K</em> of the GSZ potential for the different targets considered, extracted from [20]

description: <b>Table 1.</b> Parameters <em>d</em> and <em>K</em> of the GSZ potential for the different targets considered, extracted from [20]. <strong>Abstract</strong> A complete formulation of the <em>post</em>-version of the continuum distorted wave-eikonal initial state (CDW-EIS) model is used to investigate single ionization of multishell atoms by fast bare proton beams. The influence of the non-ionized electrons on the dynamic evolution is studied for each of the different shells of the targets. Its inclusion was made by means of the parametric Green–Sellin–Zachor potential. In this way, it is shown that discrepancies between the <em>prior-</em> and <em>post</em>-versions of the CDW-EIS model are avoided for any <em>nl</em> states of the systems studied here. The present analysis is supported by comparisons with existing experimental electron emission spectra.
DOI: 10.6084/m9.figshare.1012135
title: Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states converging on A <sup>2</sup>Π<sub>u</sub>

description: <b>Table 8.</b> Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states converging on A <sup>2</sup>Π<sub>u</sub>. The quantum defect is given relative to the A<sup>2</sup>Π<sub>u</sub> state of N_2^+, the term in the parentheses gives the Rydberg electron symmetry. States given with full spectroscopic notation have been characterized previously and appear also in table 2. <strong>Abstract</strong> Potential energy curves for electronically excited states of molecular nitrogen are calculated using three different <em>ab initio</em> procedures. The most comprehensive of these involves the use of scattering calculations, performed at negative energy using the UK molecular <em>R</em>-matrix method. Such calculations are used to characterize all the Rydberg states of N<sub>2</sub> with <em>n</em> ≤ 6 and ℓ ≤ 4 as well as many higher states including some Rydberg states associated with the first excited A <sup>2</sup>Π<sub>u</sub> state of N_2^+. Many of these states are previously unknown. The calculations are performed at a dense grid of internuclear separations allowing the many avoided crossings present in the system to be mapped out in detail. Extensive comparisons are made with the previously available data for excited states of N<sub>2</sub>.
DOI: 10.6084/m9.figshare.1012131
title: Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states of m ^1Delta and m ^1Phi symmetry

description: <b>Table 4.</b> Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states of \rm ^1\Delta and \rm ^1\Phi symmetry. <strong>Abstract</strong> Potential energy curves for electronically excited states of molecular nitrogen are calculated using three different <em>ab initio</em> procedures. The most comprehensive of these involves the use of scattering calculations, performed at negative energy using the UK molecular <em>R</em>-matrix method. Such calculations are used to characterize all the Rydberg states of N<sub>2</sub> with <em>n</em> ≤ 6 and ℓ ≤ 4 as well as many higher states including some Rydberg states associated with the first excited A <sup>2</sup>Π<sub>u</sub> state of N_2^+. Many of these states are previously unknown. The calculations are performed at a dense grid of internuclear separations allowing the many avoided crossings present in the system to be mapped out in detail. Extensive comparisons are made with the previously available data for excited states of N<sub>2</sub>.
DOI: 10.6084/m9.figshare.1012132
title: Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states of m ^3Sigma and m ^3Pi symmetry

description: <b>Table 5.</b> Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states of \rm ^3\Sigma and \rm ^3\Pi symmetry. All experimental quantum defects are from Lofthus and Krupenie (1977). <strong>Abstract</strong> Potential energy curves for electronically excited states of molecular nitrogen are calculated using three different <em>ab initio</em> procedures. The most comprehensive of these involves the use of scattering calculations, performed at negative energy using the UK molecular <em>R</em>-matrix method. Such calculations are used to characterize all the Rydberg states of N<sub>2</sub> with <em>n</em> ≤ 6 and ℓ ≤ 4 as well as many higher states including some Rydberg states associated with the first excited A <sup>2</sup>Π<sub>u</sub> state of N_2^+. Many of these states are previously unknown. The calculations are performed at a dense grid of internuclear separations allowing the many avoided crossings present in the system to be mapped out in detail. Extensive comparisons are made with the previously available data for excited states of N<sub>2</sub>.
DOI: 10.6084/m9.figshare.1012133
title: Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states of m ^3Delta and m ^3Phi symmetry

description: <b>Table 6.</b> Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states of \rm ^3\Delta and \rm ^3\Phi symmetry. <strong>Abstract</strong> Potential energy curves for electronically excited states of molecular nitrogen are calculated using three different <em>ab initio</em> procedures. The most comprehensive of these involves the use of scattering calculations, performed at negative energy using the UK molecular <em>R</em>-matrix method. Such calculations are used to characterize all the Rydberg states of N<sub>2</sub> with <em>n</em> ≤ 6 and ℓ ≤ 4 as well as many higher states including some Rydberg states associated with the first excited A <sup>2</sup>Π<sub>u</sub> state of N_2^+. Many of these states are previously unknown. The calculations are performed at a dense grid of internuclear separations allowing the many avoided crossings present in the system to be mapped out in detail. Extensive comparisons are made with the previously available data for excited states of N<sub>2</sub>.
DOI: 10.6084/m9.figshare.1012134
title: Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states of Γ symmetry

description: <b>Table 7.</b> Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states of Γ symmetry. <strong>Abstract</strong> Potential energy curves for electronically excited states of molecular nitrogen are calculated using three different <em>ab initio</em> procedures. The most comprehensive of these involves the use of scattering calculations, performed at negative energy using the UK molecular <em>R</em>-matrix method. Such calculations are used to characterize all the Rydberg states of N<sub>2</sub> with <em>n</em> ≤ 6 and ℓ ≤ 4 as well as many higher states including some Rydberg states associated with the first excited A <sup>2</sup>Π<sub>u</sub> state of N_2^+. Many of these states are previously unknown. The calculations are performed at a dense grid of internuclear separations allowing the many avoided crossings present in the system to be mapped out in detail. Extensive comparisons are made with the previously available data for excited states of N<sub>2</sub>.
DOI: 10.6084/m9.figshare.1012133.v1
title: Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states of m ^3Delta and m ^3Phi symmetry

description: <b>Table 6.</b> Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states of \rm ^3\Delta and \rm ^3\Phi symmetry. <strong>Abstract</strong> Potential energy curves for electronically excited states of molecular nitrogen are calculated using three different <em>ab initio</em> procedures. The most comprehensive of these involves the use of scattering calculations, performed at negative energy using the UK molecular <em>R</em>-matrix method. Such calculations are used to characterize all the Rydberg states of N<sub>2</sub> with <em>n</em> ≤ 6 and ℓ ≤ 4 as well as many higher states including some Rydberg states associated with the first excited A <sup>2</sup>Π<sub>u</sub> state of N_2^+. Many of these states are previously unknown. The calculations are performed at a dense grid of internuclear separations allowing the many avoided crossings present in the system to be mapped out in detail. Extensive comparisons are made with the previously available data for excited states of N<sub>2</sub>.
DOI: 10.6084/m9.figshare.1012135.v1
title: Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states converging on A <sup>2</sup>Π<sub>u</sub>

description: <b>Table 8.</b> Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states converging on A <sup>2</sup>Π<sub>u</sub>. The quantum defect is given relative to the A<sup>2</sup>Π<sub>u</sub> state of N_2^+, the term in the parentheses gives the Rydberg electron symmetry. States given with full spectroscopic notation have been characterized previously and appear also in table 2. <strong>Abstract</strong> Potential energy curves for electronically excited states of molecular nitrogen are calculated using three different <em>ab initio</em> procedures. The most comprehensive of these involves the use of scattering calculations, performed at negative energy using the UK molecular <em>R</em>-matrix method. Such calculations are used to characterize all the Rydberg states of N<sub>2</sub> with <em>n</em> ≤ 6 and ℓ ≤ 4 as well as many higher states including some Rydberg states associated with the first excited A <sup>2</sup>Π<sub>u</sub> state of N_2^+. Many of these states are previously unknown. The calculations are performed at a dense grid of internuclear separations allowing the many avoided crossings present in the system to be mapped out in detail. Extensive comparisons are made with the previously available data for excited states of N<sub>2</sub>.
DOI: 10.6084/m9.figshare.1012128
title: Vertical equilibrium excitation energies (eV) and equilibrium positions (Å) for the ground state and first two excited states of the ionic target

description: <b>Table 1.</b> Vertical equilibrium excitation energies (eV) and equilibrium positions (Å) for the ground state and first two excited states of the ionic target. <strong>Abstract</strong> Potential energy curves for electronically excited states of molecular nitrogen are calculated using three different <em>ab initio</em> procedures. The most comprehensive of these involves the use of scattering calculations, performed at negative energy using the UK molecular <em>R</em>-matrix method. Such calculations are used to characterize all the Rydberg states of N<sub>2</sub> with <em>n</em> ≤ 6 and ℓ ≤ 4 as well as many higher states including some Rydberg states associated with the first excited A <sup>2</sup>Π<sub>u</sub> state of N_2^+. Many of these states are previously unknown. The calculations are performed at a dense grid of internuclear separations allowing the many avoided crossings present in the system to be mapped out in detail. Extensive comparisons are made with the previously available data for excited states of N<sub>2</sub>.
DOI: 10.6084/m9.figshare.1012129
title: Equilibrium binding energies (eV) and equilibrium positions (Å) for valence states and Rydberg states for which experimental data is available

description: <b>Table 2.</b> Equilibrium binding energies (eV) and equilibrium positions (Å) for valence states and Rydberg states for which experimental data is available. A comparison with spectroscopic data is given when available, all values are from Huber and Herzberg (1979) unless otherwise specified. A comparison is also given with Hochlaf <em>et al</em> (2010b) (in-line entry) and Guberman (2012) (entry below in-line). <strong>Abstract</strong> Potential energy curves for electronically excited states of molecular nitrogen are calculated using three different <em>ab initio</em> procedures. The most comprehensive of these involves the use of scattering calculations, performed at negative energy using the UK molecular <em>R</em>-matrix method. Such calculations are used to characterize all the Rydberg states of N<sub>2</sub> with <em>n</em> ≤ 6 and ℓ ≤ 4 as well as many higher states including some Rydberg states associated with the first excited A <sup>2</sup>Π<sub>u</sub> state of N_2^+. Many of these states are previously unknown. The calculations are performed at a dense grid of internuclear separations allowing the many avoided crossings present in the system to be mapped out in detail. Extensive comparisons are made with the previously available data for excited states of N<sub>2</sub>.
DOI: 10.6084/m9.figshare.1012132.v1
title: Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states of m ^3Sigma and m ^3Pi symmetry

description: <b>Table 5.</b> Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states of \rm ^3\Sigma and \rm ^3\Pi symmetry. All experimental quantum defects are from Lofthus and Krupenie (1977). <strong>Abstract</strong> Potential energy curves for electronically excited states of molecular nitrogen are calculated using three different <em>ab initio</em> procedures. The most comprehensive of these involves the use of scattering calculations, performed at negative energy using the UK molecular <em>R</em>-matrix method. Such calculations are used to characterize all the Rydberg states of N<sub>2</sub> with <em>n</em> ≤ 6 and ℓ ≤ 4 as well as many higher states including some Rydberg states associated with the first excited A <sup>2</sup>Π<sub>u</sub> state of N_2^+. Many of these states are previously unknown. The calculations are performed at a dense grid of internuclear separations allowing the many avoided crossings present in the system to be mapped out in detail. Extensive comparisons are made with the previously available data for excited states of N<sub>2</sub>.
DOI: 10.6084/m9.figshare.1012134.v1
title: Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states of Γ symmetry

description: <b>Table 7.</b> Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states of Γ symmetry. <strong>Abstract</strong> Potential energy curves for electronically excited states of molecular nitrogen are calculated using three different <em>ab initio</em> procedures. The most comprehensive of these involves the use of scattering calculations, performed at negative energy using the UK molecular <em>R</em>-matrix method. Such calculations are used to characterize all the Rydberg states of N<sub>2</sub> with <em>n</em> ≤ 6 and ℓ ≤ 4 as well as many higher states including some Rydberg states associated with the first excited A <sup>2</sup>Π<sub>u</sub> state of N_2^+. Many of these states are previously unknown. The calculations are performed at a dense grid of internuclear separations allowing the many avoided crossings present in the system to be mapped out in detail. Extensive comparisons are made with the previously available data for excited states of N<sub>2</sub>.
DOI: 10.6084/m9.figshare.1012130
title: Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states of m ^1Sigma and m ^1Pi symmetry

description: <b>Table 3.</b> Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states of \rm ^1\Sigma and \rm ^1\Pi symmetry. Experimental quantum defects are from Lofthus and Krupenie (1977). <strong>Abstract</strong> Potential energy curves for electronically excited states of molecular nitrogen are calculated using three different <em>ab initio</em> procedures. The most comprehensive of these involves the use of scattering calculations, performed at negative energy using the UK molecular <em>R</em>-matrix method. Such calculations are used to characterize all the Rydberg states of N<sub>2</sub> with <em>n</em> ≤ 6 and ℓ ≤ 4 as well as many higher states including some Rydberg states associated with the first excited A <sup>2</sup>Π<sub>u</sub> state of N_2^+. Many of these states are previously unknown. The calculations are performed at a dense grid of internuclear separations allowing the many avoided crossings present in the system to be mapped out in detail. Extensive comparisons are made with the previously available data for excited states of N<sub>2</sub>.
DOI: 10.6084/m9.figshare.1012131.v1
title: Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states of m ^1Delta and m ^1Phi symmetry

description: <b>Table 4.</b> Equilibrium binding energies (eV), equilibrium positions (Å) and quantum defects for Rydberg states of \rm ^1\Delta and \rm ^1\Phi symmetry. <strong>Abstract</strong> Potential energy curves for electronically excited states of molecular nitrogen are calculated using three different <em>ab initio</em> procedures. The most comprehensive of these involves the use of scattering calculations, performed at negative energy using the UK molecular <em>R</em>-matrix method. Such calculations are used to characterize all the Rydberg states of N<sub>2</sub> with <em>n</em> ≤ 6 and ℓ ≤ 4 as well as many higher states including some Rydberg states associated with the first excited A <sup>2</sup>Π<sub>u</sub> state of N_2^+. Many of these states are previously unknown. The calculations are performed at a dense grid of internuclear separations allowing the many avoided crossings present in the system to be mapped out in detail. Extensive comparisons are made with the previously available data for excited states of N<sub>2</sub>.
DOI: 10.6084/m9.figshare.1012128.v1
title: Vertical equilibrium excitation energies (eV) and equilibrium positions (Å) for the ground state and first two excited states of the ionic target

description: <b>Table 1.</b> Vertical equilibrium excitation energies (eV) and equilibrium positions (Å) for the ground state and first two excited states of the ionic target. <strong>Abstract</strong> Potential energy curves for electronically excited states of molecular nitrogen are calculated using three different <em>ab initio</em> procedures. The most comprehensive of these involves the use of scattering calculations, performed at negative energy using the UK molecular <em>R</em>-matrix method. Such calculations are used to characterize all the Rydberg states of N<sub>2</sub> with <em>n</em> ≤ 6 and ℓ ≤ 4 as well as many higher states including some Rydberg states associated with the first excited A <sup>2</sup>Π<sub>u</sub> state of N_2^+. Many of these states are previously unknown. The calculations are performed at a dense grid of internuclear separations allowing the many avoided crossings present in the system to be mapped out in detail. Extensive comparisons are made with the previously available data for excited states of N<sub>2</sub>.