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Institute of Physics and Applied Computer Science
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Open Research Data
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Spin-Orbit Coupling Matrix Elements in the KRb Molecule
Open Research DataThe allowed 190 spin-orbit coupling (SOC) matrix elements have been calculated for the singlet (s) and triplet (t) Sigma+ (S+), Pi (P), and Delta (D) electronic states of the KRb molecule. These SOCs are needed for investigations of areas connected with classical spectroscopy, deperturbation analysis of the observed spectra, atom-molecule and molecule-molecule...
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Skin Conductance Level (SCL) data collected during mental training of group of 30 athletes
Open Research DataThe dataset contain raw Skin Conductance Level (SCL) data, collected at a frequency of 40 Hz and expressed in units of microsiemens (μS), during mental training of group of 30 athletes, under the project "Psychophysiology of guided and self-produced imagery in sport".
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ThreSpect a program for the determination of the Appearance Energies
Open Research DataDataset presents the “ThreSpect” computer program dedicated to simulating threshold energies of neutral and ionized products generated in the collisions of photons or charged particles with atoms and molecules.
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Optimization of the femtosecond laser impulse for excitation and the spin-orbit-mediated dissociation in the NaRb molecule
Open Research DataHigh accuracy ab initio potential energy curves (1tSigma+, 2sSigma+, 1tPi), electronic transition dipole moment function (1tSigma+ - 1tPi), and spin-orbit coupling (2sSigma+ - 1tPi) have been calculated for the NaRb molecule. The time-dependent excitation and dissociation processes in the polar alkali diatomic NaRb molecule and the quantum properties...
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Plasma models, contribution matrix for detector setup and generated projections for plasma emissivity reconstruction in fusion devices
Open Research DataThe original plasma models for fusion devices, together with the complementary detector setup in the form of a contribution matrix and generated projections. Samples are packed inside a Plasma Tomography Format (PTF) files which is a part of the Plasma Tomography in Fusion Devices Python package, and inside the general JSON format. The constructed dataset...
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Au nanostructures coated with a ultrathin film of Al2O3 - measurements and FDTD simulations
Open Research DataGold plasmonic platforms have been coated with an ultra-thin films of aluminium oxide. Optical measurements, showing the influence of the thickness of Al2O3 on plasmon resonance position. The observed red-shift of the resonance location with the increase of the thickness of the Al2O3 film, can be explained by the change in the dielectric function of...
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How personality traits, sports anxiety, and general imagery could influence the physiological response measured by SCL to imagined situations in sports?
Open Research DataThe data were collected to understand how individual differences in personality (e.g. neuroticism), general imagery, and situational sports anxiety are linked to arousal measuring with skin conductance level (SCL) in situational imagery (as scripted for sport-related scenes). Thirty persons participated in the study, aged between 14 and 42 years, with...
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Transition dipole moment functions of the KRb molecule
Open Research DataElectronic transition dipole moment functions (TDMF) have been calculated for the singlet (s) and triplet (t) Sigma+ (S+), Pi (P), and Delta (D) electronic states of the KRb molecule. TDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. All results of the transition dipole moments...
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Adiabatic potential energy curves of the KRb molecule
Open Research DataAdiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Sigma-, Pi, and Delta electronic states have been calculated for the KRb molecule. Presented APECs correlate with 11 atomic asymptotes, starting from ground K(4s)+Rb(5s) atomic limit and ending on double-excited K(4p)+Rb(5p) atomic limit. All results of the presented...
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Permanent dipole moment functions of the KRb molecule
Open Research DataElectronic permanent dipole moment functions (PDMF) have been calculated for the singlet (s) and triplet (t) Sigma+, Sigma-, Pi, and Delta electronic states of the KRb molecule. PDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. All results of the permanent dipole moments have been...
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Data on hydrogen migration in cation-induced dissociation of furan molecules
Open Research DataThe data include furan luminescence spectra obtained in collisions with H3+ and C+ cations and theoretical spectra of OH and CH radicals published in [1].
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Born-Oppenheimer potential energy curves of the NaK molecule
Open Research DataAdiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Pi, and Delta electronic states have been calculated for the NaK molecule. All results of the presented molecular states have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Raw data of AuAg nanoalloy plasmon resonances used for machine learning method
Open Research DataRaw data used for machine learning process. UV-vis measurements of AuAg alloyed nanostructures created from thin films. Plasmonic band position dependence on fabrication parameters. Small presentation reviewing achieved structures and their properties.
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Electron energy-loss spectra of isoxazole
Open Research DataThe data set contains numeric values of electron energy-loss spectra measured in isoxazole in the excitation energy range 3.5−10 eV. The data have been published in graphical form (figure 3 and figure 4) in the following paper:Ireneusz Linert, Mariusz Zubek "Excited states of isoxazole molecules studied by electron energy-loss spectroscopy"Journal...
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Electron energy-loss spectra of pyridazine
Open Research DataThe data set contains numeric values of electron energy-loss spectra measured in pyridazine in the excitation energy range 2.5−10 eV. The data have been published in graphical form (figures 3 - 6) in the following paper:
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Total Ionization Cross Sections of Selected Amino Acids
Open Research DataThe data set contains tabulated values of cross-sections for a single electron-impact ionization of selected amino acids (glycine, alanine, phenylalanine, proline and tryptophan) calculated using binary-encouter-Bethe method. The data have been published in graphical form (figure 1) in the following paperA.M. Sheer, P. Mozejko, G.A. Gallup, P.D. Burrow...
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Power of the low alpha brainwaves in the mental imagery experiment in sport: the "Fitness Activity" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The main aim of the study was to examine the cortical correlates of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with...
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Power of the high alpha brainwaves in the mental imagery experiment in sport: the "Fitness Activity" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The main aim of the study was to examine the cortical correlates of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with...
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Power of the SMR brainwaves in the mental imagery experiment in sport: the "Fitness Activity" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The main aim of the study was to examine the cortical correlates of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with...
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Power of the low alpha brainwaves in the mental imagery experiment in sport: the "Slow Start" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The main aim of the study was to examine the cortical correlates of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with...
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Power of the high alpha brainwaves in the mental imagery experiment in sport: the "Slow Start" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The main aim of the study was to examine the cortical correlates of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with...
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Power of the SMR brainwaves in the mental imagery experiment in sport: the "Slow Start" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The main aim of the study was to examine the cortical correlates of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with...
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Power of the low alpha brainwaves in the mental imagery experiment in sport: the "Start in High Level Championship" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The main aim of the study was to examine the cortical correlates of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with...
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Power of the high alpha brainwaves in the mental imagery experiment in sport: the "Start in High Level Championship" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The main aim of the study was to examine the cortical correlates of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with...
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Power of the SMR brainwaves in the mental imagery experiment in sport: the "Start in High Level Championship" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The main aim of the study was to examine the cortical correlates of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with...
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Power of the high alpha brainwaves in the mental imagery experiment in sport: the "Successful Competition" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The study's main aim was to examine the cortical correlations of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with the...
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Power of the SMR brainwaves in the mental imagery experiment in sport: the "Successful Competition" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The study's main aim was to examine the cortical correlations of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with the...
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Power of the low alpha brainwaves in the mental imagery experiment in sport: the "Training Session" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The study's main aim was to examine the cortical correlations of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with the...
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Power of the high alpha brainwaves in the mental imagery experiment in sport: the "Training Session" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The study's main aim was to examine the cortical correlations of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with the...
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Power of the SMR brainwaves in the mental imagery experiment in sport: the "Training Session" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The study's main aim was to examine the cortical correlations of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with the...
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Power of the low alpha brainwaves in the mental imagery experiment in sport: the "Your Home Venue" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The study's main aim was to examine the cortical correlations of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with the...
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Power of the high alpha brainwaves in the mental imagery experiment in sport: the "Your Home Venue" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The study's main aim was to examine the cortical correlations of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with the...
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Power of the SMR brainwaves in the mental imagery experiment in sport: the "Your Home Venue" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The study's main aim was to examine the cortical correlations of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with the...
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List of initial and final geometries of hybrid organic-inborganic perovskites
Open Research DataList of initial and optimized geometries of hybrid organic-inorganic perovskites. Calculations were performed on DFT level of theory. Those results were reported in the Influence of Orientational Disorder on the Optical Absorption Properties of the Hybrid Metal‐Halide Perovskite CH3NH3PbI3 publication. Geometries, HOMO, LUMO, Band gap energies are concatenated...
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Power of the low alpha brainwaves in the mental imagery experiment in sport: the "Successful Competition" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The study's main aim was to examine the cortical correlations of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with the...
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Quasirelativistic potential energy curves of NaRb dimer
Open Research DataThis data presents potential energy curves of NaRb dimer, that include spin-orbit interaction, in Hund's case (c). Calculated using Born-Oppenheimer approximation with relativistic effects included via large spin-orbit effective core potentials. Custom basis sets, core polarization potentials and MRCI method are used to accurately describe electron...
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Molecular geometry of hexachlorobenzene
Open Research DataPresented data shows molecular geometry of the ground singlet state of hexachlorobenzene and hexachlorobenzene with potassium atom in 10 angstrom distance. The geometry was obtained via MP2 and CCSD calculations using balanced polarized triple-zeta def2-TZVP basis set. Geometry is provided in the XYZ file format.
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Electronic transition dipole moment functions of the third singlet Sigma ungerade plus and third triplet Sigma gerade plus states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the third singlet Sigma ungerade plus (3sSu+) and third triplet Sigma gerade plus (3tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electronic transition dipole moment functions of the second singlet Sigma ungerade plus and second triplet Sigma gerade plus states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second singlet Sigma ungerade plus (2sSu+) and second triplet Sigma gerade plus (2tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electronic transition dipole moment functions of the second singlet Pi gerade and second triplet Pi gerade states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second singlet Pi gerade (2sPg) and second triplet Pi gerade (2tPg) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Electronic transition dipole moment functions of the first singlet Sigma ungerade plus and first triplet Sigma gerade plus states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Sigma ungerade plus (1sSu+) and first triplet Sigma gerade plus (1tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electronic transition dipole moment functions of the first singlet Pi gerade and first triplet Pi gerade states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Pi gerade (1sPg) and first triplet Pi gerade (1tPg) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Electronic transition dipole moment functions of the first singlet Delta gerade and first triplet Delta ungerade states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Delta gerade (1sDg) and first triplet Delta ungerade (1tDu) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Potential energy curves of the doublet Pi and Delta ungerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta ungerade (dPu and dDu) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Pi and Delta gerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta gerade (dPg and dDg) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Sigma ungerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma ungerade plus (dSu+) states have been calculated for the Lithium dimer cation (Li2+). The results of the five excited states of the symmetry doublet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Potential energy curves of the doublet Sigma gerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma gerade plus (dSg+) states have been calculated for the Lithium dimer cation (Li2+). The results of the ground state and four excited states of the symmetry doublet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Full CI ground state potential energy curves and one-electron relativistic corrections for hydrogen molecule in various basis sets
Open Research DataThis dataset consists of Full CI ground state Born-Oppenheimer potential energy curves and one-electron relativistic corrections for hydrogen dimer. Nonrelativistic energies, as well as one electron relativistic corrections (treated perturbatively with help of the Cowan-Griffin Hamiltonian) are presented for internuclear distances between 0.8 and 10...
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Electronic transition dipole moment functions of the second triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second triplet Sigma ungerade plus (2tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the third singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the third singlet Sigma gerade plus (3sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...