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Morgan & Claypool Publishers eBooks

Analysis of the Alkali Metal Diatomic Spectra

Jin‐Tae Kim, Bongsoo Kim, William C. Stwalley

Published Dec 1, 2014• 11 citations
Publisher

Abstract

This ebook illustrates the complementarity of molecular beam (MB) spectra and ultracold molecule (UM) spectra in unraveling the complex electronic spectra of diatomic alkali metal molecules, using KRb as a prime example. Researchers interested in molecular spectroscopy, whether physicist, chemist, or engineer, may find this ebook helpful and may be able to apply similar ideas to their molecules of interest.

DOI
10.1088/978-1-6270-5678-6

Related papers

Shortcuts for understanding rovibronic spectroscopy of ultracold alkali metal diatomic molecules

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The high-resolution rovibronic spectroscopies of cold and ultracold molecules (e.g. supersonic molecular beam excitation spectra (MB), photoassociation spectra of ultracold atoms (PA), resonance-enhanced multiphoton ionization spectra (REMPI), stimulated Raman transfer (SRT) spectra) are of major current interest. This manuscript summarizes the significant level of understanding of these various spectroscopies, enabled by using simple graphical and semiclassical ideas and shortcuts. Physical realizations of these spectroscopies will be illustrated using the alkali metal diatomic molecules, both homonuclear (e.g. Rb2) and heteronuclear (e.g. KRb).

Molecular Physics•Apr 24, 2012•21 citations

Spectroscopy of the KRb molecule

Jin‐Tae Kim, Bongsoo Kim, William C. Stwalley

Mathjax On | Off Abstract In this section we summarize experimental spectroscopic investigations of KRb. Since structureless bands with a peak at 495.9 nm, in the case of the KRb molecule, were first observed in the vapor state of the alkali metals, there have been many spectroscopic studies using KRb molecules formed in a heat-pipe oven, in a MB machine, in PA of ultracold atoms, in UMs, and in our combination method between MB and UM.

Morgan & Claypool Publishers eBooks•Dec 1, 2014•1 citation

Diatomic molecules of alkali-metal and alkaline-earth-metal atoms: Interaction potentials, dipole moments, and polarizabilities

Hela Ladjimi, Michał Tomza

Ultracold diatomic molecules find application in quantum studies ranging from controlled chemistry and precision measurement physics to quantum many-body simulation and potentially quantum computing. Accurate knowledge of molecular properties is required to guide and explain ongoing experiments. Here, in an extensive and comparative study, we theoretically investigate the electronic properties of the ground-state diatomic molecules composed of alkali-metal (Li, Na, K, Rb, Cs, Fr) and alkaline-earth-metal (Be, Mg, Ca, Sr, Ba, Ra) atoms. We study 78 heteronuclear and homonuclear diatomic combinations, including 21 alkali-metal molecules in the ${X}^{1}{\mathrm{\ensuremath{\Sigma}}}^{+}$ and ${a}^{3}{\mathrm{\ensuremath{\Sigma}}}^{+}$ electronic states, 36 alkali-metal--alkaline-earth-metal molecules in the ${X}^{2}{\mathrm{\ensuremath{\Sigma}}}^{+}$ electronic state, and 21 alkaline-earth-metal molecules in the ${X}^{1}{\mathrm{\ensuremath{\Sigma}}}^{+}$ electronic state. We calculate potential energy curves, permanent electric dipole moments, and polarizabilities using the hierarchy of coupled-cluster methods up to CCSDTQ with large Gaussian basis sets and small-core relativistic energy-consistent pseudopotentials. We collect and analyze corresponding spectroscopic constants. We estimate computational uncertainties and compare the present values with previous experimental and theoretical data to establish a different theoretical benchmark. The presented results should be useful for further application of the studied molecules in modern ultracold physics and chemistry experiments.

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Spectroscopic analysis on the 5 $^{1}\Sigma_{0}^{+}$, 3 $^{1}\Pi _{1}$, 5 $^{3}\Sigma_{1}^{+}$, and 4 $^{3}\Pi_{1}$ states of the KRb diatomic molecule using a molecular beam

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Bulletin of the American Physical Society•Jun 3, 2014•0 citations

Ionization Potentials of KRb, Rb2, and K2 and Triplet Rydberg States of the Ultracold KRb Molecule

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Ionization potentials of the alkali diatomic molecules KRb, Rb2, and K2 have been investigated and experimental methods for exploring triplet Rydberg states from the metastable a3Σ+ state of ultracold KRb molecules are proposed.

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Rydberg polyatomic molecules: Electronic structure and experimental proposal for their creation

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Synopsis We describe the electronic structure and main features of ultralong range Rydberg molecules formed by a Rydberg atom, either Rb or K, and the heteronuclear diatomic molecule KRb. By analyzing their electronic structure, we propose a protocol to create these molecules experimentally from a mixture of ultracold atoms and ultracold molecules.

Journal of Physics Conference Series•Jan 1, 2020•0 citations
This ebook illustrates the complementarity of molecular beam (MB) spectra and ultracold molecule (UM) spectra in unraveling the complex electronic spectra of diatomic alkali metal molecules, using KRb as a prime example. Researchers interested in molecular spectroscopy, whether physicist, chemist, or engineer, may find this ebook helpful and may be able to apply similar ideas to their molecules of interest.
The high-resolution rovibronic spectroscopies of cold and ultracold molecules (e.g. supersonic molecular beam excitation spectra (MB), photoassociation spectra of ultracold atoms (PA), resonance-enhanced multiphoton ionization spectra (REMPI), stimulated Raman transfer (SRT) spectra) are of major current interest. This manuscript summarizes the significant level of understanding of these various spectroscopies, enabled by using simple graphical and semiclassical ideas and shortcuts. Physical realizations of these spectroscopies will be illustrated using the alkali metal diatomic molecules, both homonuclear (e.g. Rb2) and heteronuclear (e.g. KRb).
Ultracold diatomic molecules find application in quantum studies ranging from controlled chemistry and precision measurement physics to quantum many-body simulation and potentially quantum computing. Accurate knowledge of molecular properties is required to guide and explain ongoing experiments. Here, in an extensive and comparative study, we theoretically investigate the electronic properties of the ground-state diatomic molecules composed of alkali-metal (Li, Na, K, Rb, Cs, Fr) and alkaline-earth-metal (Be, Mg, Ca, Sr, Ba, Ra) atoms. We study 78 heteronuclear and homonuclear diatomic combinations, including 21 alkali-metal molecules in the ${X}^{1}{\mathrm{\ensuremath{\Sigma}}}^{+}$ and ${a}^{3}{\mathrm{\ensuremath{\Sigma}}}^{+}$ electronic states, 36 alkali-metal--alkaline-earth-metal molecules in the ${X}^{2}{\mathrm{\ensuremath{\Sigma}}}^{+}$ electronic state, and 21 alkaline-earth-metal molecules in the ${X}^{1}{\mathrm{\ensuremath{\Sigma}}}^{+}$ electronic state. We calculate potential energy curves, permanent electric dipole moments, and polarizabilities using the hierarchy of coupled-cluster methods up to CCSDTQ with large Gaussian basis sets and small-core relativistic energy-consistent pseudopotentials. We collect and analyze corresponding spectroscopic constants. We estimate computational uncertainties and compare the present values with previous experimental and theoretical data to establish a different theoretical benchmark. The presented results should be useful for further application of the studied molecules in modern ultracold physics and chemistry experiments.
Spectroscopic analysis on the 5 1Σ0+^{1}\Sigma_{0}^{+}1Σ0+​, 3 1Π1^{1}\Pi _{1}1Π1​, 5 3Σ1+^{3}\Sigma_{1}^{+}3Σ1+​, and 4 3Π1^{3}\Pi_{1}3Π1​ states of the KRb diatomic molecule using a molecular beam