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Vladimir I. Korobov

Publications and source records attributed to Vladimir I. Korobov.

At least 19 recordsLinked to original sources

QED corrections of orders $mα^6$ and $mα^6(m/M)$ for HD$^+$ rovibrational transitions beyond Born-Oppenheimer approximation

The effective Hamiltonian of $mα^6$ and $mα^6(m/M)$ order corrections for hydrogen molecular ions has been derived in [ Z.-X. Zhong, \emph{et al.}, Phys. Rev. A {\bf98}, 032502(2018).], in this work we express the energy correction in the form of finite-value effective operators. The cut-off regularization scheme is used to determine finite part of divergent operators of the leading-order recoil corrections. Numerical calculations of first-order contributions are performed in the Hylleraas basis set. Combining the second-order terms calculated in recent work [V. I. Korobov, \emph{et al.}, Mol. Phys. e2563023 (2025).], the $mα^6$-order corrections for the fundamental rovibrational transition are obtained with an uncertainty three times smaller than in previous calculations.

physics.atom-ph↗

Variational studies of ro-vibrational spectra of DT$^+$ and T$_2^+$ ions

In this work we study the last two hydrogen molecular ion isotopologues: DT$^+$ and T$_2^+$, for which high-precision calculations have not yet been made. We obtain the nonrelativistic solutions of the Schrödinger equation for the wide range of vibrational states up to the highest possible vibrational $1sσ_g$ state which are of spectroscopic precision. Transition amplitudes for electric dipole transitions, leading-order relativistic corrections and coefficients of the effective hyperfine structure Hamiltonians for both DT$^+$ and T$_2^+$ are also calculated.

physics.atom-ph↗

Second-order corrections of orders $mα^6$ and $mα^6(m/M)$ to the spin-averaged energy in the HD$^+$ and H$_2^+$ ions

The relativistic second-order corrections at orders $mα^6$ and $mα^6(m/M)$ in hydrogen molecular ions are calculated. Convergence of numerical results is studied, which allows estimating the relative numerical uncertainty to be less then $10^{-5}$. This accuracy is sufficient to enable future improvement of theoretical predictions beyond the 1 ppt (part-per-trillion) precision level for the ro-vibrational transition frequencies.

physics.atom-ph↗

Higher-order corrections to the spin-orbit and spin-spin tensor interactions in HD$^+$

Improved values of hyperfine coefficients related to the electronic spin-orbit and electron-nucleus spin-spin tensor interactions in the HD$^+$ molecular ion are obtained through numerical calculation of relativistic corrections at the $mα^6$ order and radiative corrections at the $mα^7\ln(α)$ order. The theoretical accuracy is improved by more than one order of magnitude. Some deviations with recent high-precision ro-vibrational spectroscopy experiments are observed, in contrast with the good agreement obtained in H$_2^+$.

physics.atom-ph↗

Spin-orbit interaction in the HD$^+$ ion

We report on progress in calculation of the spin-orbit interaction for the HD$^+$ molecular ion. This interaction is currently the largest source of theoretical uncertainty in determination of the hyperfine structure of rovibrational transition lines. The corrections of order $mα^7\ln(α)$ are derived and numerically calculated. Theoretical hyperfine intervals are compared with experimental data, and the observed discrepancies are discussed.

physics.atom-ph↗

Higher-order corrections to spin-orbit and spin-spin tensor interactions in hydrogen molecular ions: theory and application to H$_2^+$

We consider higher-order corrections to hyperfine coefficients related to the spin-orbit and spin-spin tensor interactions in hydrogen molecular ions. The $mα^7 \ln(α)$-order radiative correction is derived in the NRQED framework. We present complete numerical calculations, including as well the $mα^6$-order relativistic correction, for the case of H$_2^+$. The theoretical uncertainty is reduced by more than one order of magnitude with respect to the Breit-Pauli level, down to a few ppm. We also compare our results with available rf spectroscopy data.

physics.atom-ph↗

High-precision solution of the Dirac Equation for the hydrogen molecular ion by an iterative method

The Dirac equation for H$_2^+$ is solved numerically using an iterative method proposed by Kutzelnigg [Z. Phys. 11, 15 (1989]. The four-component wavefunction is expanded in a newly introduced kinetically balanced exponential basis set. The ground-state relativistic energy is obtained with an accuracy of $10^{-20}$, which represents an improvement by several orders of magnitude, and is shown to be in good agreement with results obtained from perturbation theory.Highly accurate relativistic wavefunctions are obtained, which is a first step towards nonperturbative calculations of the one-loop self-energy correction in hydrogen molecular ions.

physics.atom-ph↗

Ro-vibrational spin-averaged transitions in the hydrogen molecular ions

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 work. In particular, one-loop and two-loop QED corrections at $mα^7$ and $mα^8$ orders are recalculated in the framework of the adiabatic approximation, with systematic inclusion of corrections associated with vibrational motion. Improved theoretical transitions frequencies are obtained and found to be in very good agreement with recent high-precision spectroscopy experiments in HD$^+$. New values for the $m_p/m_e$ and $m_d/m_p$ mass ratios are determined.

physics.atom-ph↗

Non-adiabatic, Relativistic, and Leading-order QED Corrections for Rovibrational Intervals of $^4$He$_2^+$ ($X\ ^2Σ_\mathrm{u}^+$)

The rovibrational intervals of the $^4$He$_2^+$ molecular ion in its $X\ ^2Σ_\text{u}^+$ ground electronic state are computed by including the non-adiabatic, relativistic, and leading-order quantum-electrodynamics corrections. Good agreement of theory and experiment is observed for the rotational excitation series of the vibrational ground state and the fundamental vibration. The lowest-energy rotational interval is computed to be $70.937\ 69(10)$ cm$^{-1}$ in agreement with the most recently reported experimental value, $70.937\ 589(23)(60)_\text{sys}$ cm$^{-1}$ [L. Semeria, P. Jansen, G.-M. Camenisch, F. Mellini, H. Schmutz, and F. Merkt, Phys. Rev. Lett. 124, 213001 (2020)].

physics.atom-ph↗

Higher-order corrections to spin-spin scalar interactions in HD$^+$ and H$_2^+$

The largest hyperfine interaction coefficients in the hydrogen molecular ion HD$^+$, i.e. the electron-proton and electron-deuteron spin-spin scalar interactions, are calculated with estimated uncertainties slightly below 1~ppm. The $(Zα)^2 E_F$ relativistic correction, for which a detailed derivation is presented, QED corrections up to the order $α^3 \ln^2 (α)$ along with an estimate of higher-order terms, and nuclear structure corrections are taken into account. Improved results are also given for the electron-proton interaction coefficient in H$_2^+$, in excellent agreement with RF spectroscopy experiments. In HD$^+$, a 4$σ$ difference is found in the hyperfine splitting of the $(v,L)=(0,3) \to (9,3)$ two-photon transition that was recently measured with high precision. The origin of this discrepancy is unknown.

physics.atom-ph↗

Ro-vibrational states of H$_2^+$. Variational calculations

The nonrelativistic variational calculation of a complete set of ro-vibrational states in the H$_2^+$ molecular ion supported by the ground $1sσ$ adiabatic potential is presented. It includes both bound states and resonances located above the $n=1$ threshold. In the latter case we also evaluate a predissociation width of a state wherever it is significant. Relativistic and radiative corrections are discussed and effective adiabatic potentials of these corrections are included as supplementary files.

physics.atom-ph↗

NRQED approach to the fine and hyperfine structure corrections of order $mα^6$ and $mα^6(m/M)$ -- Application to the hydrogen atom

NRQED approach to the fine and hyperfine structure corrections of order m$α$ 6 and m$α$ 6 (m/M)-Application to the hydrogen atom The NRQED approach is applied to the calculation of relativistic corrections to the fine and hyperfine structure of hydrogenlike atoms at orders m$α$ 6 and m$α$ 6 (m/M). Results are found to be in agreement with those of the relativistic theory. This confirms that the derived NRQED effective potentials are correct, and may be used for studying more complex atoms or molecules. Furthermore, we verify the equivalence between different forms of the NRQED Lagrangian used in the literature.

physics.atom-ph↗

Bethe logarithm for the helium atom

The Bethe logarithm for a large set of states of the helium atom is calculated with a precision of 12-14 significant digits. The numerical data is obtained for the case of infinite mass of a nucleus. Then we study the mass dependence and provide coefficients of the $m_e/M$ expansion, which allows us to calculate accurate values for the Bethe logarithm for any finite mass. An asymptotic expansion for the Rydberg states is analyzed and a high-quality numerical approximation is found, which ensures 7-8 digit accuracy for the $S$, $P$, and $D$ states of the helium atom.

physics.atom-ph↗

Nonrelativistic energy levels of helium atom

The nonrelativistic ionization energy levels of a helium atom are calculated for $S$, $P$, $D$ and $F$ states. The calculations are based on the variational method of "exponential" expansion. The convergence of the calculated energy levels is studied as a function of the number of basis functions $N$. This allows us to claim that the obtained energy values (including the values for the states with a nonzero angular momentum) are accurate up to 28-35 significant digits. Calculations of the nonrelativistic ionization energy of the negative hydrogen ion H$^-$ are also presented.

physics.atom-ph↗

Laser-stimulated electric quadrupole transitions in the molecular hydrogen ion H2+

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 electric quadrupole transitions between a large set of ro-vibrational states of ${\rm H_2^+}$. The hyperfine and Zeeman structure of the E2 transition spectrum and the effects of the laser polarization are treated in detail. We also present the nuclear spin-electron spin coupling constants, computed with a precision 10 times higher than previously.

physics.atom-ph↗

Fundamental transitions and ionization energies of the hydrogen molecular ions at the few ppt level

We calculate ionization energies and fundamental vibrational transitions for H$_2^+$, D$_2^+$, and HD$^+$ molecular ions. The NRQED expansion for the energy in terms of the fine structure constant $α$ is used. Previous calculations of orders $mα^6$ and $mα^7$ are improved by including second-order contributions due to the vibrational motion of nuclei. Furthermore, we evaluate the largest corrections at the order $mα^8$. That allows to reduce the fractional uncertainty to the level of $7\cdot10^{-12}$ for fundamental transitions and to $4\cdot10^{-12}$ for the ionization energies.

physics.atom-ph↗

The leading term of the He$-\bar{p}\mbox{He}^+$ long-range interaction

The long range interaction between an antiprotonic helium atom $\bar{p}$He$^+$ and helium atom in its ground state is studied. We calculate the dispersion coefficients $C_6$ using the Complex Coordinate Rotation (CCR) formalism in order to comply with the resonant nature of metastable states of the antiprotonic helium. We present as well numerical data on static dipole polarizabilities of antiprotonic helium states. The obtained coefficients $C_6$ may be used to estimate the collisional shift and broadening of transition lines in a low density precision spectroscopy of the antiprotonic helium.

physics.atom-ph↗