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Theory of tunneling errors in quantum computing operations, the quantum electric dipole of triatomic molecules, and spin collapse of transition metal impurities

Ryan Requist

Published Jan 1, 2005• 0 citations
OpenAlex

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Formation of ultracold triatomic molecules by electric microwave association

Baraa Shammout, Leon Karpa, Silke Ospelkaus +2 more

A theoretical model is proposed for the formation of ultracold ground-state triatomic molecules in weakly bound energy levels. The process is driven by the electric component of a microwave field, which induces the association of an ultracold atom colliding with an ultracold diatomic molecule. This model is exemplified using K 39 atoms and Na 23 K 39 molecules, both in their ground states, a scenario of experimental relevance. The model assumes that the dynamics of the association are dominated by the long-range van der Waals interaction between K 39 and Na 23 K 39 . The electric microwave association mechanism relies on the intrinsic electric dipole moment of Na 23 K 39 , which drives transitions between its lowest rotational levels ( j =0 and j =1). The energies of the uppermost triatomic energy levels are computed by numerically solving coupled Schrödinger equations using the Mapped Fourier Grid Hamiltonian method. Measurable association rates are derived within the framework of a perturbative approach. This method of electric microwave association provides an alternative to atom-molecule association via magnetic Feshbach resonances for forming ultracold, deeply bound triatomic molecules, and is applicable to a wide range of polar diatomic molecules.

arXiv:2502.06590•Physical Review Research•May 27, 2025•0 citations

Ab initioproperties of the ground-state polar and paramagnetic europium–alkali-metal-atom and europium–alkaline-earth-metal-atom molecules

Michał Tomza

The properties of the electronic ground state of the polar and paramagnetic europium--$S\text{-state-atom}$ molecules have been investigated. Ab initio techniques have been applied to compute the potential energy curves for the europium--alkali-metal-atom, $\mathrm{Eu}X(X=\mathrm{Li},\mathrm{Na},\mathrm{K},\mathrm{Rb},\mathrm{Cs})$, europium--alkaline-earth-metal-atom, $\mathrm{Eu}Y(Y=\mathrm{Be},\mathrm{Mg},\mathrm{Ca},\mathrm{Sr},\mathrm{Ba})$, and europium-ytterbium, EuYb, molecules in the Born-Oppenheimer approximation for the high-spin electronic ground state. The spin restricted open-shell coupled cluster method restricted to single, double, and noniterative triple excitations, RCCSD(T), was employed and the scalar relativistic effects within the small-core energy-consistent pseudopotentials were included. The permanent electric dipole moments and static electric dipole polarizabilities were computed. The leading long-range coefficients describing the dispersion interaction between atoms at large internuclear distances ${C}_{6}$ are also reported. The EuK, EuRb, and EuCs molecules are examples of species possessing both large electric and magnetic dipole moments making them potentially interesting candidates for ultracold many-body quantum simulations when confined in an optical lattice in combined electric and magnetic fields.

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Interaction of RE3+ impurity ions with inhomogeneous field of radiation

Gagik G. Demirkhanyan, R. B. Kostanyan, Vagram M. Mekhitarian

A scheme is proposed for computing the probability of the dipole-forbidden f – f transition at the interaction of the RE 3+ impurity ion with the field of an inhomogeneous exciting radiation. It is shown that in the case under consideration, the prohibition on electric dipole transitions can be repealed without involving the Judd–Ofelt theory of induced electric dipole transitions. The quantitative estimation of the absorption cross-section of YAG:Er 3+ crystal at the wavelength of 1530 nm ( 4 I 15/2 → 4 I 13/2 ) was carried out for the simplest model of the inhomogeneous exciting radiation.

Journal of Contemporary Physics (Armenian Academy of Sciences)•Oct 1, 2017•0 citations
A theoretical model is proposed for the formation of ultracold ground-state triatomic molecules in weakly bound energy levels. The process is driven by the electric component of a microwave field, which induces the association of an ultracold atom colliding with an ultracold diatomic molecule. This model is exemplified using K 39 atoms and Na 23 K 39 molecules, both in their ground states, a scenario of experimental relevance. The model assumes that the dynamics of the association are dominated by the long-range van der Waals interaction between K 39 and Na 23 K 39 . The electric microwave association mechanism relies on the intrinsic electric dipole moment of Na 23 K 39 , which drives transitions between its lowest rotational levels ( j =0 and j =1). The energies of the uppermost triatomic energy levels are computed by numerically solving coupled Schrödinger equations using the Mapped Fourier Grid Hamiltonian method. Measurable association rates are derived within the framework of a perturbative approach. This method of electric microwave association provides an alternative to atom-molecule association via magnetic Feshbach resonances for forming ultracold, deeply bound triatomic molecules, and is applicable to a wide range of polar diatomic molecules.
The properties of the electronic ground state of the polar and paramagnetic europium--S-state-atomS\text{-state-atom}S-state-atom molecules have been investigated. Ab initio techniques have been applied to compute the potential energy curves for the europium--alkali-metal-atom, EuX(X=Li,Na,K,Rb,Cs)\mathrm{Eu}X(X=\mathrm{Li},\mathrm{Na},\mathrm{K},\mathrm{Rb},\mathrm{Cs})EuX(X=Li,Na,K,Rb,Cs), europium--alkaline-earth-metal-atom, EuY(Y=Be,Mg,Ca,Sr,Ba)\mathrm{Eu}Y(Y=\mathrm{Be},\mathrm{Mg},\mathrm{Ca},\mathrm{Sr},\mathrm{Ba})EuY(Y=Be,Mg,Ca,Sr,Ba), and europium-ytterbium, EuYb, molecules in the Born-Oppenheimer approximation for the high-spin electronic ground state. The spin restricted open-shell coupled cluster method restricted to single, double, and noniterative triple excitations, RCCSD(T), was employed and the scalar relativistic effects within the small-core energy-consistent pseudopotentials were included. The permanent electric dipole moments and static electric dipole polarizabilities were computed. The leading long-range coefficients describing the dispersion interaction between atoms at large internuclear distances C6{C}_{6}C6​ are also reported. The EuK, EuRb, and EuCs molecules are examples of species possessing both large electric and magnetic dipole moments making them potentially interesting candidates for ultracold many-body quantum simulations when confined in an optical lattice in combined electric and magnetic fields.
A scheme is proposed for computing the probability of the dipole-forbidden f – f transition at the interaction of the RE 3+ impurity ion with the field of an inhomogeneous exciting radiation. It is shown that in the case under consideration, the prohibition on electric dipole transitions can be repealed without involving the Judd–Ofelt theory of induced electric dipole transitions. The quantitative estimation of the absorption cross-section of YAG:Er 3+ crystal at the wavelength of 1530 nm ( 4 I 15/2 → 4 I 13/2 ) was carried out for the simplest model of the inhomogeneous exciting radiation.