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Search results for: DIATOM
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Autocorrelation function for the chosen effective potential of the diatomic silver anion
Open Research DataThe 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
Open Research DataThe 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
Open Research DataThe 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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Potential energy curves and spectroscopic parameters of the diatomic silver anion and neutral silver dimer
Open Research DataThe 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
Open Research DataThe 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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Phytoplankton in the Kashubian Lakes – microscopic photo archive
Open Research DataPhytoplankton is a group of microscopic plant organisms passively floating in water. The organisms included in the phytoplankton of lakes include the following main taxonomic groups: cyanobacteria (Cyanobacteria), green algae (Chlorophyta), dinoflagellates (Dinophyta), diatoms (Bacillariophyceae), cryptophytes (Cryptophyta), chrysophytes (Chrysophyceae)...
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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 fifth triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fifth triplet Sigma ungerade plus (5tSu+) 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 first singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Sigma gerade plus (1sSg+) 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 first triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first triplet Sigma ungerade plus (1tSu+) 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 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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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 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 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...
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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 third triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the third triplet Sigma ungerade plus (3tSu+) 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 fourth triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fourth triplet Sigma ungerade plus (4tSu+) 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 fourth singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fourth singlet Sigma gerade plus (4sSg+) 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 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 second singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second singlet Sigma gerade plus (2sSg+) 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 fifth singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fifth singlet Sigma gerade plus (5sSg+) 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 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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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
Open Research DataThis 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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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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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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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 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 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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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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Optical microsc. images of wear marks on ball (JPG). Reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). Lubricant - DISTILLED WATER. Specim. set K07
Open Research DataOptical microscope images of wear zone on the 5mm diam. ceramic ball used in tests as the fixed specimen.Friction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DISTILLED WATER. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test...
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Optical microsc. images of wear marks on ball (JPG). Reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). Lubricant - DISTILLED WATER. Specim. set K06
Open Research DataOptical microscope images of wear zone on the 5mm diam. ceramic ball used in tests as the fixed specimen.Friction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DISTILLED WATER. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test...
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Optical microsc. images of wear marks on ball (JPG). Reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). No lubrication (DRY). Specim. set K04
Open Research DataOptical microscope images of wear zone on the 5mm diam. ceramic ball used in tests as the fixed specimen.Friction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DRY. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1...
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Optical microsc. images of wear marks on ball (JPG). Reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). Lubricant - PARAFFIN OIL. Specim. set K08
Open Research DataOptical microscope images of wear zone on the 5mm diam. ceramic ball used in tests as the fixed specimen.Friction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: PARAFFIN OIL. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig:...
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Optical microsc. images of wear marks on ball (JPG). Reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). Lubricant - DISTILLED WATER. Specim. set K02
Open Research DataOptical microscope images of wear zone on the 5mm diam. ceramic ball used in tests as the fixed specimen.Friction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DISTILLED WATER. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test...
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Optical microsc. images of wear marks on ball (JPG). Reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). No lubrication (DRY). Specim. set K05
Open Research DataOptical microscope images of wear zone on the 5mm diam. ceramic ball used in tests as the fixed specimen.Friction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DRY. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1...
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Optical microsc. images of wear marks on ball (JPG). Reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). No lubrication (DRY). Specim. set K03
Open Research DataOptical microscope images of wear zone on the 5mm diam. ceramic ball used in tests as the fixed specimen.Friction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DRY. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1...
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Optical microsc. images of wear marks on ball (JPG). Reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). No lubrication (DRY). Specim. set K01
Open Research DataOptical microscope images of wear zone on the 5mm diam. ceramic ball used in tests as the fixed specimen.Friction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DRY. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1...
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Optical microsc. images of wear marks on ball (JPG). Reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). Lubricant - PARAFFIN OIL. Specim. set K09
Open Research DataOptical microscope images of wear zone on the 5mm diam. ceramic ball used in tests as the fixed specimen.Friction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: PARAFFIN OIL. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig:...
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Optical microsc. images of wear marks on ball (JPG). Reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). Lubricant - DISTILLED WATER. Specim. set K06
Open Research DataOptical microscope images of wear zone on the 5mm diam. ceramic ball used in tests as the fixed specimen.Friction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DISTILLED WATER. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test...
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Adiabatic potential energy curves of the singlet Pi ungerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Pi ungerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry singlet Pi ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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Adiabatic potential energy curves of the singlet Pi and Delta gerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Pi and Delta gerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries singlet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma ungerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the five excited states of the symmetry triplet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Pi gerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Pi gerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry triplet Pi gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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Adiabatic potential energy curves of the singlet Sigma gerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the ground state and three excited states of the symmetry singlet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Adiabatic potential energy curves of the singlet Sigma ungerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry singlet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma gerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry triplet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Pi and Delta ungerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Pi and Delta ungerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries triplet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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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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VIbration monitoring in reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). Lubricant - PARAFFIN OIL. Specim. set K09A - full-run
Open Research DataVIbration monitoring in reciprocating siding friction tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: PARAFFIN OIL. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1 Tribometer.Running time: progressive increments of 10, 15, 30,...
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VIbration monitoring in reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). Lubricant - PARAFFIN OIL. Specim. set K09 - pre-run
Open Research DataVIbration monitoring in reciprocating siding friction tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: PARAFFIN OIL. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1 Tribometer.Running time: progressive increments of 10, 15, 30,...