<i>Ab</i> <i>initio</i> calculation of rovibronic transition spectra of CaH

Leininger, Thierry; Jeung, Gwang‐Hi

doi:10.1063/1.469581

Cited by 51 publications

(51 citation statements)

References 23 publications

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“…Leininger & Jeung (1995) and Weck et al (2003b) provide the required data. In the case of the former, band oscillator strengths are provided in their Table V for transitions in the A 2 ÅYX 2 AE þ , B 2 AE þ YX 2 AE þ , and D 2 AE þ YX 2 AE þ electronic systems for the most abundant 40 CaH isotopic form, giving a total of 154 values of v 00 from 0 to 13 and of v 0 from 0 to 11, respectively, for each of the three band systems.…”

Section: Metal Hydridesmentioning

confidence: 99%

See 1 more Smart Citation

Atomic and Molecular Opacities for Brown Dwarf and Giant Planet Atmospheres

Sharp

Burrows

2007

ASTROPHYS J SUPPL S

346

375

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We present a comprehensive description of the theory and practice of opacity calculations from the infrared to the ultraviolet needed to generate models of the atmospheres of brown dwarfs and extrasolar giant planets. Methods for using existing line lists and spectroscopic databases in disparate formats are presented, and plots of the resulting absorptive opacities versus wavelength for the most important molecules and atoms at representative temperature/ pressure points are provided. Electronic, rovibrational, bound-free, bound-bound, free-free, and collision-induced transitions and monochromatic opacities are derived, discussed, and analyzed. The species addressed include the alkali metals, iron, heavy metal oxides, metal hydrides, H 2 , H 2 O, CH 4 , CO, NH 3 , H 2 S, PH 3 , and representative grains. Once monochromatic absorption cross sections for all constituents have been derived, chemical abundances have to be obtained before the resulting product can be summed to obtain total opacities. Hence, we include a review of the thermochemistry, techniques, and databases needed to derive equilibrium abundances and provide some sample results.

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Section: Metal Hydridesmentioning

confidence: 99%

“…Both have very similar properties. This is followed by x 2.3, where we discuss the metal hydrides TiH ( Burrows et al 2005), CrH ( Burrows et al 2002), FeH (Dulick et al 2003), MgH (Skory et al 2003;Weck et al 2003a), and CaH (Leininger & Jeung 1995;Weck et al 2003b), which all have similar properties.…”

Section: Introductionmentioning

confidence: 99%

Atomic and Molecular Opacities for Brown Dwarf and Giant Planet Atmospheres

Sharp

Burrows

2007

ASTROPHYS J SUPPL S

346

375

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“…It should be noted that the s, p, d and f denotations of the Rydberg states may be an over-simplification when mixing is present (see Q column in Table 1). For comparative purposes, in Table 2 [38] with configuration interaction. From our calculations, the E 2  and C 2  + experimentally observed states correspond to 3d and 5s Rydberg states, respectively.…”

Section: A Transition Energiesmentioning

confidence: 99%

CaH Rydberg series, oscillator strengths and photoionization cross sections from Molecular Quantum Defect and Dyson Orbital theories

Velasco

Lavín

Díaz–Tinoco

et al. 2017

Journal of Quantitative Spectroscopy and Radiative Transfer

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In this work, electron-propagator methods are applied to the calculation of the ionization potential and vertical excitation energies for several Rydberg series of the CaH molecule.The present calculations cover more highly excited states than those previously reported.In particular, excitation energies for ns (n>5), np (n>5), nd (n>4) and nf Rydberg states are given. Oscillator strengths for electronic transitions involving Rydberg states of CaH, as well as photoionization cross sections for Rydberg channels, also have been determined by using the Molecular Quantum Defect Orbital approach. Good agreement has been found with the scarce comparative data that are available for oscillator strengths.To our knowledge, predictions of photoionization cross sections from the outermost orbital of CaH are made here for the first time. A Cooper minimum and mixed atomic orbital character in some of the Dyson orbitals are among the novel features of these present calculations.

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“…The fluorescence is excited at 635 nm in the B 2 Σ, v = 0 ← X 2 Σ, v = 0 band [41], [42] and detected mainly within the B, v = 0 → X, v = 1 band at 692 nm (the corresponding Franck-Condon factor was calculated to be 0.028, [43]). A set of color-glass and band-pass interference filters placed in front of the detector (either a photomultiplier tube or a CCD camera) serves to block the scattered probe radiation (along with the B, v = 0 → X, v = 0 fluorescence).…”

Section: Buffer-gas Loadingmentioning

confidence: 99%

Buffer-gas Loading and Magnetic Trapping of Molecules

Doyle¹

2003

The Expanding Frontier of Atomic Physics

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Ultracold and cold molecules have enormous potential for yielding a wealth of new physics and new technologies. Molecules possess several features that greatly increase the possibilities for new interactions, collective quantum states and effects, collisional processes, fundamental symmetry tests and chemical processes. This is due to 1) the strong interactions between the dipole moments of polar molecules, 2) the rotational and vibrational internal structure of all molecules, and 3) the easily orientable internal electric field of many molecules. The promise of cold and ultracold molecules will only be realized when samples can be prepared with at least the same ease in which we now prepare atomic samples. Several approaches towards trapping of molecules, the key first step toward studying ultracold molecules at high density, have already succeeded: direct cooling of molecules via a buffer gas, mechanical slowing of a pulsed molecular beam with electric fields and photoassociation of alkali atoms. In the ICAP 2002 session on molecules I described some of the current theoretical results and predictions about ultracold molecular systems. Profs. Meijer and Heinzen described results on pulsed beam slowing and photoassociation. This contribution describes some of the key results on buffer-gas loading of molecules. . The challenge in molecular physics is to achieve with molecules what has so far been limited to atoms. This prospect is perhaps even more appealing, since molecules offer a vast range of properties not available with atoms. Unlike atoms, molecules are generally non-spherical and have rotational and vibrational degrees of freedom. Apart from that, molecules possess both even and odd multipole moments -electric and magnetic -that are all coupled to the rotating molecular frame. As a result, any molecular interaction, whether with other molecules or with external fields, is shaped and refined by a transformation between the rotating molecular frame and the space-fixed laboratory frame.Cooling and trapping of molecules can produce a number of significant benefits for a wide variety of applications. Availability of reduced line broadening and long interaction times can benefit precision spectroscopy [8], and coherent control [9]. Cooling of internal molecular states, combined with long interaction times, can greatly increase the sensitivity of certain precision measurements [10]. Low translational energy of the cooled molecules will facilitate external-field manipulations of molecular trajectories and orientations [11]-[13]. In the regime where the deBroglie wavelength exceeds molecular dimensions, reactive collisions start exhibiting significant quantum effects [14]. Reactive and non-reactive collisions of ultracold molecules are of significant interest [15], [16]. Beyond collisional properties, proposals exist for employing electric dipoles of ultracold molecules to implement quantum computing [17]. Finally, achiev-

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Ab initio calculation of rovibronic transition spectra of CaH

Cited by 51 publications

References 23 publications

Atomic and Molecular Opacities for Brown Dwarf and Giant Planet Atmospheres

Atomic and Molecular Opacities for Brown Dwarf and Giant Planet Atmospheres

CaH Rydberg series, oscillator strengths and photoionization cross sections from Molecular Quantum Defect and Dyson Orbital theories

Buffer-gas Loading and Magnetic Trapping of Molecules

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