Theoretical investigation of the GaF molecule and its positive ion

Mochizuki, Yuji; Tanaka, Kiyoshi

doi:10.1007/s002140050438

Cited by 13 publications

(1 citation statement)

References 16 publications

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“…This is common in the following examples: AlCl + , AlF + [77,78] and GaCl + . Although GaF + is believed to have strong ionic character [79] it also has a dissociative first exited state [80]. The hydrides BH + and AlH + seem to be suitable for direct laser cooling and are the subject of the present paper.…”

Section: Appendix a Potential Candidatesmentioning

confidence: 97%

Challenges of laser-cooling molecular ions

Nguyen,

Viteri,

Hohenstein

et al. 2011

Preprint

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The direct laser cooling of neutral diatomic molecules in molecular beams suggests that trapped molecular ions can also be laser cooled. The long storage time and spatial localization of trapped molecular ions provides the opportunity for multistep cooling strategies, but also requires a careful consideration of rare molecular transitions. We briefly summarize the requirements that a diatomic molecule must meet for laser cooling, and we identify a few potential molecular ion candidates. We then perform a detailed computational study of the candidates BH + and AlH + , including improved ab initio calculations of the electronic state potential energy surfaces and transition rates for rare dissociation events. Based on an analysis of population dynamics, we determine which transitions must be addressed for laser cooling and compare experimental schemes using continuous-wave and pulsed lasers.

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Section: Appendix a Potential Candidatesmentioning

confidence: 97%

Challenges of laser-cooling molecular ions

Nguyen,

Viteri,

Hohenstein

et al. 2011

Preprint

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CSF-based multireference coupled-pair approximation. IV. Revision of coupling term and application to Rydberg-valence avoided crossing in lowest two1?+ excited states of FH molecule and lowest two3?g states of F2 molecule

Tanaka

Ghosh

Sakai

1999

Int. J. Quant. Chem.

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A formalism of MRCPA 4 presented in the recent study of one of the Ž . authors K. T. and Mochizuki is reconsidered and coupling terms which appear in calculating excited states will be improved for the sake of guaranteeing size consistency in case of separating a molecular system into two fragments. The method is applied to calculating adiabatic potential curves of the lower three 1 ⌺ q states of the FH molecule and the lowest two 3 ⌸ states of the F molecule. They include avoided crossing between g 2Rydberg and valence-type states.

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