Fine structure of open-shell diatomic molecules in combined electric and magnetic fields

Gärttner, Martin; Omiste, Juan J.; Schmelcher, Peter; Gonzaález-Feárez, R.

doi:10.1080/00268976.2013.799296

Cited by 8 publications

(11 citation statements)

References 44 publications

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“…The areas of application includes cooling and trapping of molecular beams (see Ref. [245] and references therein), manipulating the long-range molecular interactions and collisional dynamics [246][247][248], molecular orientation and alignment [245,249,250], as well as rotational spectroscopy [251][252][253][254]. As shown in Section 5.7, the absolute values of transition dipole moments can be computed from the Einstein A coefficients and it is sufficient to complement this with only the sign of transition dipole moment for each molecular line.…”

Section: Dipolesmentioning

confidence: 99%

The ExoMol database: Molecular line lists for exoplanet and other hot atmospheres

Tennyson

Yurchenko

Al-Refaie

et al. 2016

Journal of Molecular Spectroscopy

450

316

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The ExoMol database (www.exomol.com) provides extensive line lists of molecular transitions which are valid over extended temperature ranges. The status of the current release of the database is reviewed and a new data structure is specified. This structure augments the provision of energy levels (and hence transition frequencies) and Einstein A coefficients with other key properties, including lifetimes of individual states, temperature-dependent cooling functions, Land? g-factors, partition functions, cross sections, k-coefficients and transition dipoles with phase relations. Particular attention is paid to the treatment of pressure broadening parameters. The new data structure includes a definition file which provides the necessary information for utilities accessing ExoMol through its application programming interface (API). Prospects for the inclusion of new species into the database are discussedPeer reviewe

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Section: Dipolesmentioning

confidence: 99%

The ExoMol database: Molecular line lists for exoplanet and other hot atmospheres

Tennyson

Yurchenko

Al-Refaie

et al. 2016

Journal of Molecular Spectroscopy

450

316

View full text Add to dashboard Cite

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“…Electric and magnetic fields can therefore be used to slow, guide, confine, and generally manipulate OH [10][11][12][13][14]. It follows that a quantitative as well as qualitative understanding of the corresponding Stark-Zeeman spectrum is of great relevance.…”

mentioning

confidence: 98%

Ground-state OH molecule in combined electric and magnetic fields: Analytic solution of the effective Hamiltonian

2013

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The OH molecule is currently of great interest from the perspective of ultracold chemistry, quantum fluids, precision measurement, and quantum computation. Crucial to these applications are the slowing, guiding, confinement, and state control of OH, using electric and magnetic fields. In this article, we show that the corresponding eight-dimensional effective ground-state Stark-Zeeman Hamiltonian is exactly solvable and explicitly identify the underlying chiral symmetry. Our analytical solution opens the way to insightful characterization of the magnetoelectrostatic manipulation of ground-state OH. Based on our results, we also discuss a possible application to the quantum simulation of an imbalanced Ising magnet.The OH molecule in its ground X 2 3/2 state is presently widely employed in investigations of ultracold chemistry [1-4], precision measurements [5,6], and quantum computation [7]. Particularly interesting is the recently implemented evaporative cooling of OH close to Bose-Einstein condensation [8]. With such experiments under way, the exploration of quantum degeneracy and molecular optics [9] with OH should shortly become reality.A substantial reason behind the suitability of OH as a workhorse for these experiments is the fact that it is a polar paramagnetic molecule; i.e., it carries both electric and magnetic dipole moments. Electric and magnetic fields can therefore be used to slow, guide, confine, and generally manipulate OH [10][11][12][13][14]. It follows that a quantitative as well as qualitative understanding of the corresponding Stark-Zeeman spectrum is of great relevance.In this article we present the exact solution of the eightdimensional Stark-Zeeman Hamiltonian of OH in its X 2 3/2 ground state [13] and identify the intriguing underlying symmetry. This molecular Hamiltonian is an effective one, neglects hyperfine structure, and has been used to numerically model experimental data accurately [8,12,13]. However, there is interest in analytic solutions also: during the preparation of this article, the field-dependent part of the Hamiltonian was diagonalized exactly in an insightful article by Bohn and Quemener [15].Based on our analysis, we suggest that the OH molecule may be used to simulate a mixed spin Ising magnet, which is of interest in condensed matter physics [16]. Another use for our results is a realistic theory of nonadiabatic processes in traps, which so far has relied on a simplified four-dimensional model of the OH ground state [17]. Our work may also be of relevance to atmospheric [18], interstellar [19], and combustion physics [20], where OH plays an important role. Lastly, we hope that our results will usefully add to the handful of exact solutions available for molecules, especially in strong fields [21].We begin with the Stark-Zeeman Hamiltonian for OH in the X 2 3/2 state, as presented earlier [13],where H o is the field-free Hamiltonian, μ e and μ b are the electric and magnetic dipole moments of the molecule, respectively, and E [ B] is the electric [magnetic] field impose...

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“…We first examine the Stark and Zeeman effects for the spectrum of = J 3 2 states in the Π 2 3 2 manifold separately, and then investigate the energy spectra in the presence of combined electric and magnetic fields. While the spectroscopy of OH in combined fields has been studied by several authors [8,[12][13][14][15][16][17]45], our results are distinguished in two important aspects. First, our study is the first to include all effects, including hyperfine structure and centrifugal distortion, down to few kiloHertz accuracy, which leads to observable spectral differences, as we shall show.…”

Section: Hyperfine Structure Of Oh Molecule In Combined Electric and mentioning

confidence: 84%

“…Recent works on the single-particle spectrum of OH in the presence of electric and/or magnetic fields dealt with phenomenological models which explicitly include the Lambda-doubling splitting Δ LD and restrict themselves only to the lowest 16 states in the Π 2 3 2 manifold [8,12,13], or even to the lowest eight states neglecting hyperfine structure [14][15][16][17]. There exists one study which takes into account the effects of the higher rotational states and states in the Π 2 1 2 manifold [45], but still it neglects the hyperfine structure, centrifugal distortion effects, rotational Zeeman effect, electronic spin anisotropic Zeeman effect, and parity-dependent and non-cylindrical Zeeman effects. These effects are not negligible when we investigate cold and ultracold physics of OH molecules, as shown in figure 4.…”

Section: Comparison With Previous Workmentioning

confidence: 99%

Hyperfine structure of the hydroxyl free radical (OH) in electric and magnetic fields

2015

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We investigate single-particle energy spectra of the hydroxyl free radical (OH) in the lowest electronic and rovibrational level under combined static electric and magnetic fields, as an example of heteronuclear polar diatomic molecules. In addition to the fine-structure interactions, the hyperfine interactions and centrifugal distortion effects are taken into account to yield the zero-field spectrum of the lowest Π 2 3 2 manifold to an accuracy of less than 2 kHz. We also examine level crossings and repulsions in the hyperfine structure induced by applied electric and magnetic fields. Compared to previous work, we found more than 10% reduction of the magnetic fields at level repulsions in the Zeeman spectrum subjected to a perpendicular electric field. In addition, we find new level repulsions, which we call Stark-induced hyperfine level repulsions, that require both an electric field and hyperfine structure. It is important to take into account hyperfine structure when we investigate physics of OH molecules at micro-Kelvin temperatures and below. 2 3 2 manifold to an accuracy of less than ∼ 2 kHz 100 nK. As OH nears the quantum degenerate regime, producing a sample in a single quantum state will require manipulation OPEN ACCESS RECEIVED of the hyperfine degrees of freedom, as was the case for ultracold KRb molecules [18]. Our results are essential for achieving this high degree of control over hyperfine states with the required spectroscopic precision. We also examine level crossings and repulsions in hyperfine structure in the presence of applied electric and magnetic fields to explore how these level crossings and repulsions change when we change the relative angle between the electric and magnetic fields. It has never been performed before us to couple the 16 states in the lowest Π 2 3 2 manifold with the 80 excited states in the presence of strong fields and obtain such accuracies comparable with ultracold temperatures. Ahead of ultracold molecules, ultracold gases of atoms with magnetic dipole moments, or atomic dipolar gases, have been intensely investigated. Gases of chromium [19], dysprosium [20], and erbium [21] have been trapped and cooled down to quantum degeneracy in experiments. Due to their anisotropic long-range dipoledipole interactions, atomic dipolar gases are expected to exhibit novel quantum phenomena: spin textures [22-24], dipolar relaxation [25], Einstein-de Haas effects [26,27] in their bosonic spieces, and ferronematic [28,29] and antiferrosmectic-C phases [30] in their fermionic species. However, dipole-dipole interactions between atoms are fixed in strength by their permanent magnetic dipole moments. In contrast, polar molecules offer an electric dipole moment that is directly tunable via an applied electric field and can be made orders of magnitude larger than dipole moments in atoms. Cold and ultracold gases of molecules with electric dipole momentsmolecular dipolar gases-are at or rapidly approaching quantum degeneracy in experiments, e.g., KRb [31], RbCs [32], RbSr [33], OH [8], a...

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Fine structure of open-shell diatomic molecules in combined electric and magnetic fields

Cited by 8 publications

References 44 publications

The ExoMol database: Molecular line lists for exoplanet and other hot atmospheres

The ExoMol database: Molecular line lists for exoplanet and other hot atmospheres

Ground-state OH molecule in combined electric and magnetic fields: Analytic solution of the effective Hamiltonian

Hyperfine structure of the hydroxyl free radical (OH) in electric and magnetic fields

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