Bibliothek

X
Suchhistorie löschen
feed icon rss

Ihre E-Mail wurde erfolgreich gesendet. Bitte prüfen Sie Ihren Maileingang.

Leider ist ein Fehler beim E-Mail-Versand aufgetreten. Bitte versuchen Sie es erneut.

Vorgang fortführen?

Exportieren
Filter
  • Digitale Medien  (2)
  • 1985-1989  (2)
Datenquelle
Materialart
  • Digitale Medien  (2)
Erscheinungszeitraum
Jahr
  • 1
    Digitale Medien
    Digitale Medien
    Multipolar long-range electrostatic, dispersion, and induction energy terms for the interactions between two identical alkali atoms Li, Na, K, Rb, and Cs in various electronic states (1985)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 82 (1985), S. 3224-3234 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: For the alkali dimers Li2, Na2, K2, Rb2, and Cs2 long-range potential energy curves of the molecular states corresponding to the asymptotes ns+ns and ns+np have been investigated from standard perturbation method up to second order in the multipolar expansion approximation of the interaction energy. Two different cases have been considered: (i) neglecting spin-orbit effects and then values of the long-range expansion coefficients Cn, n=(3), 6, 8, (10) have been determined (ii) including spin-orbit effects and then potential energy curves have been determined numerically and are graphically displayed. Very good agreement is obtained between present curves and very recent long-range experimental ones for the X 1Σ+g state of Li2 and for the X 1Σg+ and 1Πg states of Na2. The position and the energy of purely long-range extrema of the states 1u(2S1/2+ 2P1/2), 1u(2S1/2+2P3/2) and 0g−(2S1/2+2P3/2) have been determined for each alkali dimer investigated.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.448222
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 2
    Digitale Medien
    Digitale Medien
    Coulomb interaction energy including overlap effects between two one-active electron atoms in various electronic states. Application to the interaction Li(2s)+Li(2s) (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 88 (1988), S. 5663-5672 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Formulas for the matrix elements of the first- and second-order Coulomb interaction energy between two one-active electron atoms, either in ground or excited initial electronic states, are displayed for the region of small overlap. The appropriate two-center expansions of the electrostatic potential between two spherical charge distributions are explicitly used for overlapping as well as nonoverlapping regions. Test calculations have been performed for the interaction H(1s)+H(1s) at R=6 and R=8 a.u. The results obtained are in very good agreement with the literature reference values. Calculations have been performed for the first-order electrostatic and second-order induction and dispersion energies for the interaction Li(2s)+Li(2s) in the range 5≤R≤24 a.u. using a set of simple semiempirical functions for the Li atom. The results obtained for the dispersion terms are seen to be in an overall reasonable agreement with recent ab initio values. The increasing importance of both the induction terms and the so-called spherical dispersion terms E00iidisp with the decreasing values of R is emphasized. For the largest dispersion term, the relative contribution of the nonoverlapping and overlapping regions is discussed.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.454527
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
Schließen ⊗
Diese Webseite nutzt Cookies und das Analyse-Tool Matomo. Weitere Informationen finden Sie hier...