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Full CI ground state potential energy curves and one-electron relativistic corrections for hydrogen molecule in various basis sets
Dane BadawczeThis 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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Potential energy curves of LiCs dimer
Dane BadawczeThis data presents potential energy curves of LiCs dimer in Hund's case (a). Calculated using Born-Oppenheimer approximation with scalar relativistic effects are included via large effective core potentials. Custom basis sets, core polarization potentials and MRCI method are used to accurately describe electron correlation. Dataset consists of 22 potential...
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Molecular geometry of phenylboronic acid
Dane BadawczeData presents molecular geometry of the ground singlet state of phenylboronic acid. The geometry was obtained via DFT calculations using Becke–Lee–Yang–Parr density functional (B3LYP) with the balanced polarized triple-zeta def2-TZVP basis set. Geometry is provided in the XYZ file format.
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Molecular geometry of hexachlorobenzene
Dane BadawczePresented 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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Neural oscillations induced by IAPS pictures (session 17)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 22)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 15)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 21)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 20)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 12)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 18)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 14)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 13)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 16)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 19)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 10)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 1)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 9)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 5)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 2)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 11)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 3)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 6)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 4)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 8)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 7)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 24)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 23)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 25)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Neural oscillations induced by IAPS pictures (session 26)
Dane BadawczeThe data were collected to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals gathered from seven persons aged 23 - 35 within 26 sessions, during which 45 different random photos, taken from the...
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Optimization of the femtosecond laser impulse for excitation and the spin-orbit-mediated dissociation in the NaRb molecule
Dane BadawczeHigh 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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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
Dane BadawczeThis data presents potential energy surfaces of Li atom interacting with LiCs dimer for the ground and first excited state. They were calculated using effective core potentials and MRCI method and include relativistic effects. The interatomic distance in the dimer is kept constant and equal to experimental value of 6.931704423 bohrs (3.6681 A). Energy...
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Born-Oppenheimer potential energy curves of the NaK molecule
Dane BadawczeAdiabatic 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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Quasirelativistic potential energy curves of NaRb dimer
Dane BadawczeThis 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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Potential energy curve, rovibrational energies and nuclear wave functions of 2 singlet Pi state in KLi dimer
Dane BadawczeThis data sets contains potential energy curve, energy levels and nuclear wave functions of rovibrational states of KLi dimer in 2 singlet Pi electronic state. Potential energy curve (PEC) for the electronic state was calculated in the Born-Oppenheimer approximation by the means of effective core potentials and MRCI method. Nuclear wave functions and...
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Potential energy curves of NaRb dimer
Dane BadawczeThis data presents potential energy curves of NaRb dimer in Hund's case (a). Calculated using Born-Oppenheimer approximation with scalar relativistic effects are included via large effective core potentials. Core polarization potentials and MRCI method is used to describe electron correlation. Dataset consists of 18 potential energy curves of ground...
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Potential energy curves and spectroscopic parameters of the diatomic silver anion and neutral silver dimer
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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The rovibrational energy levels of the diatomic silver anion and neutral silver dimer
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Autocorrelation function for the chosen effective potential of the diatomic silver anion
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Non-adiabatic coupling elements between the diatomic silver anion and neutral silver dimer plus continuum electron
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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The spontaneous electron emission and rotational predissociation lifetimes of the diatomic silver anion
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...