| Autor: |
Blank, L, Weeks, David E., Kedziora, Gary S. |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 3/28/2012, Vol. 136 Issue 12, p124315, 9p, 7 Charts, 9 Graphs |
| Abstrakt: |
The X2Σ1/2+, A2Π1/2, A2Π3/2, and B2Σ1/2+ potential energy curves and associated dipole matrix elements are computed for M + Ng at the spin-orbit multi-reference configuration interaction level, where M = K, Rb, Cs and Ng = He, Ne, Ar. Dissociation energies and equilibrium positions for all minima are identified and corresponding vibrational energy levels are computed. Difference potentials are used together with the quasistatic approximation to estimate the position of satellite peaks of collisionally broadened D2 lines. The comparison of potential energy curves for different alkali atom and noble gas atom combinations is facilitated by using the same level of theory for all nine M + Ng pairs. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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