Library

feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
Filter
  • 1990-1994  (3)
Material
Years
Year
Keywords
  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 98 (1993), S. 7113-7125 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Theoretical calculations for the ground state and for 83 excited states of the Na2 molecule are presented in the framework of two independent approaches. The electron–core interaction is represented either by a pseudopotential or by a model potential, and a core polarization potential is introduced in both cases. The basis set contains either Gaussian orbitals or two-center generalized Slater orbitals. The two methods appear to give similar results, one being more accurate for the ground and first excited states, the other being better adapted to the intermediate Rydberg states. A very good agreement is obtained with the experimental spectroscopic constants determined for 26 states, the mean deviation being ΔRe=0.05a0, Δωe=0.86 cm−1, and ΔDe=57 cm−1.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
  • 2
    Electronic Resource
    Electronic Resource
    Springer
    The European physical journal 32 (1994), S. 229-240 
    ISSN: 1434-6079
    Keywords: 34.20.b ; 31.50.+w ; 34.50
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract In a recent paper, we have performed accurate model potential calculations for the adiabatic excited states of the Na2 molecule. In view of dynamical calculations we propose a method to extract doubly excited potential curves, singly excited Rydberg series, and electronic couplings. In contrast to the previous work, the diabatic curves are correctly matching the adiabatic curves at large internuclear distances, and the electronic interactions do vanish in the asymptotic region. The adequacy of scaling laws to extract reduced parameters relevant to MQDT treatment of molecular autoionization is discussed. These parameters are used to calculate cross-sections for the associative ionization reaction at thermal collision energies when fine structure splitting can be neglected. In the framework of a simple model for the treatment of the long range dynamical couplings, we show the strong influence of the initial preparation of the atoms, and of long range population transfers. In contrast to the usual interpretation of experimental data, we predict that at least four doubly excited states may contribute efficiently to the process. Nevertheless, we may reproduce the marked variation of the observed ion signal as a function of the polarization of the exciting light. This work is a step towards a full treatment of the associative ionization between two cold atoms.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
  • 3
    ISSN: 1434-6079
    Keywords: 34.20b ; 31.50+w ; 34.50
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A two-electron model potential method is proposed to compute diabatic electronic excited states for Na2. The configuration space is first divided into two subspaces corresponding to singly and doubly excited configurations respectively. Next this partition is modified to ensure a correct dissociation limit for the ground state. The matrix element of the electronic Hamiltonian between the two subspaces can be extrapolated along a Rydberg series up to the ionization continuum. The first order M.Q.D.T. treatment of Giusti (1980) is then used to estimate the cross-sections for the reaction Na(3p)+Na(3p)→Na 2 + +e −, considering various symmetries of the intermediate Na2 molecule. A marked selectivity in favour of the3Σ u + symmetry is found and the estimated cross-section σ ∼ 5 Å2 for a collision energy of 0.05 eV is in satisfactory agreement with the experimental results.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...