Search results for: KRB MOLECULE

• MOLECULES

  Journals

  ISSN: 1420-3049

• Theoretical study of highly-excited states of KRb molecule

  Publication

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

  - CENTRAL EUROPEAN JOURNAL OF PHYSICS - Year 2013

  Semi-empirical adiabatic potential energy curves of highly excited states of the KRb molecule are calculated as a function of the internuclear distance R over a wide range from 3 to 150 a0. The diatomic molecule is treated as an effective two-electron system by using the large core pseudopotentials and core polarization potentials. All calculations are performed by using the nonrelativistic CASSCF/MRCI method with accurate basis...

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• 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...

• 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...

• Paweł Możejko dr hab.

  People

  Faculty of Applied Physics and Mathematics, Zakład Fizyki Zderzeń Elektronowych, Instytut Fizyki i Informatyki Stosowanej

• Potential energy curves, transition and permanent dipole moments of KRb

  Publication

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

  - ATOMIC DATA AND NUCLEAR DATA TABLES - Year 2023

  We present extensive calculations of 48 adiabatic potential energy curves of the KRb molecule. Efforts have been focused on preparing the appropriate basis sets. Compared to previous approaches, the set of new potential energy curves is extended to higher excitations, including the single-excited K(4s2S)+Rb(5d2D) and double-excited K(4p2P)+Rb(5p2P) atomic limits. Larger distances between nuclei are also taken into account. New...

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• IRB

  Journals

  ISSN: 0193-7758

• QRB Discovery

  Journals

  eISSN: 2633-2892

• Molecular Dynamics Study of the Internal Water Molecules in Vasopressin and Oxytocin Receptors

  Publication

  • M. Slusarz
  • R. Slusarz
  • J. Ciarkowski
  • R. Ślusarz

  - Protein & Peptide Letters - Year 2009

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