Katalog Danych Badawczych

• Transition dipole moment functions of the KRb molecule

  Dane Badawcze

  open access

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

  - seria: 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...

• Adiabatic potential energy curves of the KRb molecule

  Dane Badawcze

  open access

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

  - seria: 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...

• Permanent dipole moment functions of the KRb molecule

  Dane Badawcze

  open access

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

  - seria: 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

  Dane Badawcze

  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...

• Full CI ground state potential energy curves and one-electron relativistic corrections for hydrogen molecule in various basis sets

  Dane Badawcze

  open access

  • T. Kilich

  This 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...

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

  Dane Badawcze

  open access

  • P. Jasik
  • J. Sienkiewicz

  - seria: 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...