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We derive formulas and perform calculations of nonadiabatic corrections to rates of electric quadrupole transitions in the hydrogen molecule. These corrections can be represented in terms of the quadrupole moment curve $D^{(1)}(R)$,…

Atomic Physics · Physics 2026-01-23 Krzysztof Pachucki , Michał Siłkowski

This paper presents the calculation of the electric transition dipole moment in a pre-Born-Oppenheimer framework. Electrons and nuclei are treated equally in terms of the parametrization of the non-relativistic total wave function, which is…

Chemical Physics · Physics 2014-10-17 Benjamin Simmen , Edit Matyus , Markus Reiher

The systematic shifts of the transition frequencies in the molecular hydrogen ions are of relevance to ultra-high-resolution radio-frequency, microwave and optical spectroscopy of these systems, performed in ion traps. We develop the…

Atomic Physics · Physics 2015-06-16 Dimitar Bakalov , Stephan Schiller

Molecular hydrogen normally has only weak, quadrupole transitions between its rovibrational states, but in a static electric field it acquires a dipole moment and a set of allowed transitions. Here we use published ab initio calculations of…

Astrophysics of Galaxies · Physics 2022-06-09 Mark A. Walker

Density functional theory (DFT) calculation has had huge success as a tool capable of predicting important physical and chemical properties of condensed matter systems. We calculate the electric dipole moment of a molecule by using the…

Chemical Physics · Physics 2019-03-12 Byeong June Min

The non-relativistic three-body Schr\"odinger equation of the heteronuclear molecular ion HD$^+$ is solved in perimetric coordinates using the Lagrange-mesh method. Energies and wave functions of the four lowest vibrational bound or…

Atomic and Molecular Clusters · Physics 2015-06-16 Horacio Olivares Pilón , Daniel Baye

The nonrelativistic energies of the homonuclear ion T$_2^+$ are calculated for the ground state using the Lagrange-mesh method as was done for the isotopomers H$_2^+$ and D$_2^+$ ({\it J. Phys. B: At. Mol. Opt. Phys.} {\bf 45} 065101 and…

Atomic and Molecular Clusters · Physics 2015-06-19 Horacio Olivares Pilón

Motivated by recent measurements for several alkali-metal atoms and alkali-metal-like ions, we perform a detailed study of electric dipole (E1) transition amplitudes in K, Ca+, Rb, Sr+, Cs, Ba+, Fr, and Ra+, which are of interest for…

Atomic Physics · Physics 2023-06-01 B. M. Roberts , C. J. Fairhall , J. S. M. Ginges

Analytical expressions of the wave functions are derived for a Bohr Hamiltonian with the Manning{Rosen potential in the cases of {\gamma}-unstable nuclei and axially symmetric prolate deformed ones with {\gamma}=0. By exploiting the results…

Nuclear Theory · Physics 2016-05-23 M. Chabab , A. El Batoul , A. Lahbas , M. Oulne

Molecular hydrogen ions are of metrological relevance due to the possibility of precise theoretical evaluation of their spectrum and of external-field-induced shifts. In homonuclear molecular ions the electric dipole $E1$ transitions are…

Atomic Physics · Physics 2021-01-20 P. Danev , D. Bakalov , V. I. Korobov , S. Schiller

We calculate the rate of the spontaneous magnetic dipole radiation transitions from ortho- to para-states of the hydrogen molecule at the room temperature with the radiation wavelengths about 0.01 - 0.1 cm. Exponentially small differences…

Atomic Physics · Physics 2018-11-19 A. M. Ishkhanyan , V. P. Krainov

The magnetic dipole transitions in the homonuclear molecular ion H$_2^+$ are obtained for a wide range of $v$ and $L$, vibrational and total orbital momentum quantum numbers, respectively. Calculations are performed in the nonrelativistic…

Atomic Physics · Physics 2023-11-09 D. T. Aznabayev , A. K. Bekbaev , V. I. Korobov

Current situation in studies of lifetimes of excited rovibronic levels for the H2, D2, T2, HD, HT, and DT molecules is analyzed. All measured values of the lifetimes (792 data for 618 different vibro-rotational levels of 33 electronic…

Chemical Physics · Physics 2014-12-11 S. A. Astashkevich , B. P. Lavrov

Spectrum and electric dipole transition rates and relative intensities in $^{152-154}$Sm, $^{156-160}$Gd, $^{160-162}$Dy are studied in the framework of the interacting boson model with s,p,d,f bosons. It is found that E1 transition data…

Nuclear Theory · Physics 2009-10-31 Hua Ying Ji , Gui Lu Long , En Guang Zhao , Shu Wei Xu

Molecular hydrogen ions are of metrological relevance due to the possibility of precise theoretical evaluation of their spectrum and of external-field-induced shifts. We report the results of the calculations of the rate of laser-induced…

Atomic Physics · Physics 2018-03-21 Vladimir I. Korobov , Petar Danev , Dimitar Bakalov , Stephan Schiller

We report results of a theoretical investigation of hyperfine interactions in two homonuclear isotopologues of the hydrogen molecule: H$_{2}$ and D$_{2}$. We present a set of hyperfine coupling constants: spin-rotation, spin-spin dipole…

Atomic Physics · Physics 2020-07-06 Hubert Jóźwiak , Hubert Cybulski , Piotr Wcisło

We reconsider the calculation of rovibrational transition frequencies in hydrogen molecular ions. Some previously neglected contributions, such as the deuteron polarizability, are included into consideration in comparison with our previous…

Atomic Physics · Physics 2021-09-15 Vladimir I. Korobov , Jean-Philippe Karr

We present general expressions for the magnetic transition rates in beam Electron Paramagnetic Resonance (EPR) experiments of anisotropic spin systems in the solid state. The expressions apply to general spin centers and arbitrary…

Mesoscale and Nanoscale Physics · Physics 2015-01-14 Joscha Nehrkorn , Alexander Schnegg , Karsten Holldack , Stefan Stoll

A relativistic many-body method is developed to calculate energy and transition rates for multipole transitions in many-electron ions. This method is based on relativistic many-body perturbation theory (RMBPT), agrees with MCDF calculations…

Atomic Physics · Physics 2009-11-11 U. I. Safronova , A. S. Safronova , P. Beiersdorfer

Energy levels and transition rates for electric-dipole, electric-quadrupole, electric-octupole, magnetic-dipole, and magnetic-quadrupole transitions among the levels arising from the $n\ \leq$ 5 configurations in B-like Kr XXXII are…

Atomic Physics · Physics 2020-05-20 Yanting Li , Ra Si , Jinqing Li , Chunyu Zhang , Ke Yao , Kai Wang , Mingfeng Gu , Chongyang Chen
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