Search results for: PSEUDOPOTENTIAL

• Adiabatic potential energy curves of the 3, 4 and 5^1Σ^+ excited states of LiCs molecule

  Open Research Data

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  • P. Jasik
  • J. Sienkiewicz

  Adiabatic potential energy curves of the 3, 4, and 5^1Σ^+ excited states have been calculated for the LiCs molecule. The results of three excited states of the symmetry Σ^+ have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons with atomic...

• Adiabatic potential energy curves of the singlet Pi and Delta gerade states of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Adiabatic potential energy curves of the Lithium dimer

  Adiabatic 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...

• Adiabatic potential energy curves of the triplet Sigma ungerade plus states of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Adiabatic potential energy curves of the Lithium dimer

  Adiabatic 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...

• Adiabatic potential energy curves of the triplet Pi gerade states of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Adiabatic potential energy curves of the Lithium dimer

  Adiabatic 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...

• Adiabatic potential energy curves of the singlet Sigma gerade plus states of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Adiabatic potential energy curves of the Lithium dimer

  Adiabatic 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...

• Adiabatic potential energy curves of the singlet Sigma ungerade plus states of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Adiabatic potential energy curves of the Lithium dimer

  Adiabatic 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...

• Adiabatic potential energy curves of the triplet Sigma gerade plus states of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Adiabatic potential energy curves of the Lithium dimer

  Adiabatic 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...

• Adiabatic potential energy curves of the triplet Pi and Delta ungerade states of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Adiabatic potential energy curves of the Lithium dimer

  Adiabatic 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...

• Adiabatic potential energy curves of the singlet Pi ungerade states of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Adiabatic potential energy curves of the Lithium dimer

  Adiabatic 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...

• Potential energy curves of the doublet Sigma gerade plus states of the Lithium dimer cation

  Open Research Data

  open access

  • P. Jasik
  • J. Wilczyński
  • J. Sienkiewicz

  - series: Adiabatic potential energy curves of the Lithium dimer cation (Li2+)

  Adiabatic 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...

• Potential energy curves of the doublet Sigma ungerade plus states of the Lithium dimer cation

  Open Research Data

  open access

  • P. Jasik
  • J. Wilczyński
  • J. Sienkiewicz

  - series: Adiabatic potential energy curves of the Lithium dimer cation (Li2+)

  Adiabatic 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...

• Potential energy curves of the doublet Pi and Delta gerade states of the Lithium dimer cation

  Open Research Data

  open access

  • P. Jasik
  • J. Wilczyński
  • J. Sienkiewicz

  - series: Adiabatic potential energy curves of the Lithium dimer cation (Li2+)

  Adiabatic 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...

• Potential energy curves of the doublet Pi and Delta ungerade states of the Lithium dimer cation

  Open Research Data

  open access

  • P. Jasik
  • J. Wilczyński
  • J. Sienkiewicz

  - series: Adiabatic potential energy curves of the Lithium dimer cation (Li2+)

  Adiabatic 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...

• Transition dipole moment functions of the KRb molecule

  Open Research Data

  open access

  • P. Jasik
  • P. Łobacz
  • J. Sienkiewicz

  - series: Potential energy curves, transition and permanent dipole moments of KRb

  Electronic 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...

• Permanent dipole moment functions of the KRb molecule

  Open Research Data

  open access

  • P. Jasik
  • P. Łobacz
  • J. Sienkiewicz

  - series: Potential energy curves, transition and permanent dipole moments of KRb

  Electronic 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...

• Born-Oppenheimer potential energy curves of the NaK molecule

  Open Research Data

  open access

  • K. Bączek
  • P. Jasik
  • T. Kilich
  • J. Sienkiewicz

  Adiabatic 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...

• Electronic transition dipole moment functions of the first singlet Delta gerade and first triplet Delta ungerade states of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic 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...

• Electronic transition dipole moment functions of the second triplet Sigma ungerade plus state of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic 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...

• 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 Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic 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...

• Adiabatic potential energy curves of the KRb molecule

  Open Research Data

  open access

  • P. Jasik
  • P. Łobacz
  • J. Sienkiewicz

  - series: Potential energy curves, transition and permanent dipole moments of KRb

  Adiabatic 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...

• Electronic transition dipole moment functions of the third singlet Sigma gerade plus state of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic 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...

• 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 Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic 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...

• Electronic transition dipole moment functions of the third triplet Sigma ungerade plus state of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic 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...

• Electronic transition dipole moment functions of the fourth triplet Sigma ungerade plus state of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic 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...

• Electronic transition dipole moment functions of the fourth singlet Sigma gerade plus state of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic 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...

• Electronic transition dipole moment functions of the first singlet Pi gerade and first triplet Pi gerade states of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic 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...

• Electronic transition dipole moment functions of the second singlet Sigma gerade plus state of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic 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...

• Electronic transition dipole moment functions of the fifth singlet Sigma gerade plus state of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic 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...

• 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 Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic 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...

• Electronic transition dipole moment functions of the second singlet Pi gerade and second triplet Pi gerade states of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic 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...

• Electronic transition dipole moment functions of the fifth triplet Sigma ungerade plus state of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic 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...

• Electronic transition dipole moment functions of the first singlet Sigma gerade plus state of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic 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...

• Electronic transition dipole moment functions of the first triplet Sigma ungerade plus state of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic 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...

• Spin-Orbit Coupling Matrix Elements in the KRb Molecule

  Open Research Data

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  • P. Jasik
  • D. Kędziera
  • J. Sienkiewicz

  The 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...

• Autocorrelation function for the chosen effective potential of the diatomic silver anion

  Open Research Data

  open access

  • P. Jasik
  • J. Franz
  • D. Kędziera
  • T. Kilich
  • J. Kozicki
  • J. Sienkiewicz

  - series: Spontaneous electron emission versus dissociation in internally hot silver dimer anions

  The 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...

• Non-adiabatic coupling elements between the diatomic silver anion and neutral silver dimer plus continuum electron

  Open Research Data

  open access

  • P. Jasik
  • J. Franz
  • D. Kędziera
  • T. Kilich
  • J. Kozicki
  • J. Sienkiewicz

  - series: Spontaneous electron emission versus dissociation in internally hot silver dimer anions

  The 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...

• The rovibrational energy levels of the diatomic silver anion and neutral silver dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Franz
  • D. Kędziera
  • T. Kilich
  • J. Kozicki
  • J. Sienkiewicz

  - series: Spontaneous electron emission versus dissociation in internally hot silver dimer anions

  The 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...

• Potential energy curves and spectroscopic parameters of the diatomic silver anion and neutral silver dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Franz
  • D. Kędziera
  • T. Kilich
  • J. Kozicki
  • J. Sienkiewicz

  - series: Spontaneous electron emission versus dissociation in internally hot silver dimer anions

  The 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...

• The spontaneous electron emission and rotational predissociation lifetimes of the diatomic silver anion

  Open Research Data

  open access

  • P. Jasik
  • J. Franz
  • D. Kędziera
  • T. Kilich
  • J. Kozicki
  • J. Sienkiewicz

  - series: Spontaneous electron emission versus dissociation in internally hot silver dimer anions

  The 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...