Theoretical investigation of the laser cooling of a LiBe molecule

You, Yang; Yang, Chuan‐Lu; Wang, Meishan; Ma, Xiao‐Guang; Wang, Meishan

doi:10.1103/physreva.92.032502

Cited by 34 publications

(23 citation statements)

References 40 publications

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“…Scanning to higher energy, the 2–0 band was found (at the lower resolution) with a band origin at 10 481(2) cm –1 . The intensity of this feature was approximately 1/10 of the intensity of the 0–0 band (vibrational assignment based on the theoretical predictions for the 2 2 Σ + vibrational constants ,,, ). The 1–0 band could not be observed, indicating that its intensity was below the noise level.…”

Section: Results and Analysismentioning

confidence: 92%

“…Theoretical calculations for the 2 2 Σ + –X 2 Σ + band system ,,, indicated that the origin should be found near 9780 cm –1 . Detection of the 2 2 Σ + –X 2 Σ + transition was accomplished using two-color RE2PI with the ionization pulse following the excitation pulse with a delay of approximately 10 ns.…”

Section: Results and Analysismentioning

confidence: 99%

“…The computed electronic transition dipole moment of the 2 2 Σ + –X 2 Σ + transition is large, yielding an excited-state radiative lifetime of about 75 ns. These predictions suggest that laser cooling is feasible …”

Section: Introductionmentioning

confidence: 93%

“…LiBe, which holds the distinction of being the simplest intermetallic species, has been the subject of several theoretical studies. − Although initial electronic structure calculations predicted that ground-state LiBe would not be bound, − Schlachta et al succeeded in producing LiBe in the gas phase by the laser vaporization of a Li/Be pressed pellet. Using the laser-induced fluorescence (LIF) technique, they observed bands of the C 2 Π–X 2 Σ + transition within the 19 200–20 600 cm –1 energy range.…”

Section: Introductionmentioning

confidence: 99%

“…Subsequent theoretical calculations for LiBe have predicted properties for the ground state and a range of electronically excited states. − A subset of this work has been motivated by the potential for cooling LiBe or the LiBe + cation to ultracold temperatures. ,,− From this perspective, the attractive attributes of LiBe(X) for ultracold molecule studies include a large dipole moment (predicted to be 3.5 D , ) and the magnetic moment associated with the unpaired electron. You et al examined the possibilities for direct laser cooling of LiBe. Their MRCI calculations indicate that the 2 2 Σ + –X 2 Σ + transition is very diagonal, with a Franck–Condon factor for the 0–0 band of 0.998 (note that SrF has been successfully laser cooled using an electronic transition that has a 0–0 band FCF of 0.98).…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

Electronic Spectroscopy and Photoionization of LiBe

Persinger

Han

2021

J. Phys. Chem. A

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LiBe has been the subject of several theoretical investigations and one spectroscopic study. Initially, these efforts were motivated by interest in the intermetallic bond. More recent work has explored the potential for producing LiBe and LiBe + at ultracold temperatures. In the present study, we have advanced the spectroscopic characterization of several electronic states of LiBe and the ground state of LiBe + . For the neutral molecule, the 1 2 Π, 2 2 Σ + , 3 2 Σ + , and 4 2 Π(3d) states were observed for the first time. Data for the 2 2 Σ + −X 2 Σ + transition support a theoretical prediction that this band system is suitable for direct laser cooling. Photoelectron spectroscopy has been used to determine the ionization energy of LiBe and map the low-energy vibrational levels of LiBe + X 1 Σ + . Overall, the results validate the predictions of high-level quantum chemistry calculations for both LiBe and LiBe + .

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Section: Results and Analysismentioning

confidence: 92%

Section: Results and Analysismentioning

confidence: 99%

Section: Introductionmentioning

confidence: 93%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Electronic Spectroscopy and Photoionization of LiBe

Persinger

Han

2021

J. Phys. Chem. A

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Ground‐state potential energy functions and vibration‐rotation energy levels of beryllium lithium and its cation

Koput

2022

J Comput Chem

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The accurate ground-state potential energy functions of the beryllium lithium dimer, BeLi, and its cation, BeLi + , have been determined from ab initio calculations using the multi-reference averaged coupled-pair functional (MR-ACPF) method in conjunction with the correlation-consistent core-valence basis sets up to septuple-zeta quality. The importance of the electron correlation beyond the MR-ACPF level of approximation, scalar relativistic, and adiabatic effects was discussed. For BeLi + , the similar calculation was performed using the single-reference coupled-cluster method, up to the CCSDTQ level of approximation. The vibration-rotation energy levels of the two species were predicted to near the "spectroscopic" accuracy. Strangely enough, the predicted vibrational term values do not compare well with the recent experimental data for either BeLi or BeLi + , with discrepancies reaching as much as 20-60 cm -1 for highly excited vibrational levels.

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A theoretical study on laser cooling of silicon monofluoride

Xia

et al. 2017

Chemical Physics

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Theoretical investigation of the laser cooling of a LiBe molecule

Cited by 34 publications

References 40 publications

Electronic Spectroscopy and Photoionization of LiBe

Electronic Spectroscopy and Photoionization of LiBe

Ground‐state potential energy functions and vibration‐rotation energy levels of beryllium lithium and its cation

A theoretical study on laser cooling of silicon monofluoride

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