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  • Artikel: DFG Deutsche Nationallizenzen  (4)
  • 1995-1999  (4)
  • 1
    Digitale Medien
    Digitale Medien
    The (1)1Πg state of 39K2 revisited (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 2717-2726 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Vibrational levels up to v=107 of the (1)1Πg state of 39K2, which dissociates to K(4s)2S1/2+K(4p)2P3/2, have been observed in high-resolution Fourier transform records of C 1Πu→(1)1Πg fluorescence. From a revised analysis of this system, we have constructed a rotationless Rydberg–Klein–Rees (RKR) potential curve which extends to R=40.3 Å. Vibrational and rotational constants have been calculated from this curve. The parameters describing the Coulombic interactions between K(4s)+K(4p) atoms are given in a Hund's case (c) basis. From this work, the dissociation energy De for the (1)1Πg state is found to be 1290.30±0.02 cm−1, leading to a new value of Te=16 203.25±0.09 cm−1 for this state. © 1998 American Institute of Physics.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.476870
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  • 2
    Digitale Medien
    Digitale Medien
    Static dipole polarizability of small mixed sodium–lithium clusters (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 5568-5577 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: We have measured the static dipole polarizability of Nay−xLix clusters (with y=2, 3, 4, and 8) by molecular beam deflection technique. For a given size, the polarizability of pure lithium clusters is smaller than the polarizability of pure sodium clusters. For mixed clusters, a smooth decrease in the polarizability is observed as the proportion of lithium atoms increases. For the NaLi molecule, both experimental permanent dipole and average polarizability have been obtained. Experimental results are compared to results of density functional theory and configuration interaction single and double (CISD) ab initio calculations. © 1999 American Institute of Physics.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.478455
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  • 3
    Digitale Medien
    Digitale Medien
    Expansions for the eigenvalues of three-term recurrence relations. Two applications in molecular physics (1998)
    Springer
    The European physical journal 4 (1998), S. 63-72 
    Details
    ISSN: 1434-6079
    Schlagwort(e): PACS. 31. Electronic structure of atoms, molecules and their ions: theory
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Physik
    Notizen: Abstract: Approximate expressions for the eigenvalue of a three-term recurrence relation with a general form describing various physical problems are proposed. Their range of availability is examined by comparison with exact values for two different problems: the bound and continuum states of monoelectronic diatomic ions and the Schrödinger equation describing molecular alignment in intense laser fields. For each case, very good predictions have been obtained, which may be useful as initial values in iterative procedures for deriving exact solutions.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/s100530050185
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  • 4
    Digitale Medien
    Digitale Medien
    Static electric dipole polarizabilities of alkali clusters (1999)
    Springer
    The European physical journal 9 (1999), S. 243-248 
    Details
    ISSN: 1434-6079
    Schlagwort(e): PACS: 36.40.-c Atomic and molecular clusters – 32.10.Dk Electric and magnetic moments, polarizability – 31.15.Ew Density functional theory
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Physik
    Notizen: Abstract. We have measured the static dipole polarizability of lithium and sodium clusters (n=1-22). Values measured for sodium are in agreement with previous experiments. While the polarizability per atom for sodium clusters decreases slowly as a function of the cluster size, a sharp decrease between sizes 1 and 4 is observed for lithium clusters. Experimental values are compared to Density Functional Theory (DFT/PW91) calculations. The size evolutions for sodium and lithium cluster polarizabilities are well reproduced by our calculations. The sharp decrease observed for small lithium clusters is discussed in terms of electronic density.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/s100530050433
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