38 research outputs found

    Ab initio calculations on the ground and excited states of BeOH and MgOH

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    Journal URL: http://jcp.aip.org

    Resonant Coupling in the Heteronuclear Alkali Dimers for Direct Photoassociative Formation of X(0,0) Ultracold Molecules

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    Promising pathways for photoassociative formation of ultracold heteronuclear alkali metal dimers in their lowest rovibronic levels (denoted X(0,0)) are examined using high quality ab initio calculations of potential energy curves currently available. A promising pathway for KRb, involving the resonant coupling of the 21Π2 ^1\Pi and 11Π1 ^1\Pi states just below the lowest excited asymptote (K(4s4s)+Rb(5p1/25p_{1/2})), is found to occur also for RbCs and less promisingly for KCs as well. The resonant coupling of the 31Σ+3 ^1 \Sigma ^+ and 11Π1 ^1\Pi states, also just below the lowest excited asymptote, is found to be promising for LiNa, LiK, LiRb, and less promising for LiCs and KCs. Direct photoassociation to the 11Π1 ^1\Pi state near dissociation appears promising in the final dimers, NaK, NaRb, and NaCs, although detuning more than 100 cm1^{-1} below the lowest excited asymptote may be required.Comment: 20 pages, 12 figures, Submitted to Journal of Physical Chemistry
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