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Accurate results for nonrelativistic energy, relativistic, QED, and finite nuclear mass corrections are obtained for $2^1S_{1/2}$, $3^1S_{1/2}$ and $2^1P_{1/2}$ states of the Li atom and Be$^+$ ion. Our computational approach uses the…

Atomic Physics · Physics 2009-11-13 Mariusz Puchalski , Krzysztof Pachucki

Highly accurate nonrelativistic ground-state wave function and energy of the lithium atom is obtained in the Hylleraas basis set. The leading relativistic corrections,as represented by Breit-Pauli Hamiltonian, are obtained in fair agreement…

Atomic Physics · Physics 2009-11-11 Mariusz Puchalski , Krzysztof Pachucki

Extensive variational computations are reported for the ground state energy of the non-relativistic two-electron atom. Several different sets of basis functions were systematically explored, starting with the original scheme of Hylleraas.…

Atomic Physics · Physics 2009-11-07 Charles Schwartz

A quantum electrodynamics (QED) correction surface for the simplest polyatomic and polyelectronic system H$_3^+$ is computed using an approximate procedure. This surface is used to calculate the shifts to vibration-rotation energy levels…

Chemical Physics · Physics 2014-06-27 Lorenzo Lodi , Oleg L. Polyansky , Jonathan Tennyson , Alexander Alijah , Nikolai F. Zobov

Considering the nuclear motion, the authors give out the nonrelativistic ground energy of a helium atom by using a simple but effective variational wave function with a flexible parameter $k$. Based on this result, the relativistic and…

Quantum Physics · Physics 2009-11-11 Yi-Shi Duan , Yu-Xiao Liu , Li-Jie Zhang

Variational and perturbative relativistic energies are computed and compared for two-electron atoms and molecules with low nuclear charge numbers. In general, good agreement of the two approaches is observed. Remaining deviations can be…

Chemical Physics · Physics 2022-09-21 Dávid Ferenc , Péter Jeszenszki , Edit Mátyus

The variational method, within the Hamiltonian formalism of reformulated QED is used to determine relativistic wave equations for a system of three fermions of arbitrary mass interacting electromagnetically. The interaction kernels of the…

Atomic Physics · Physics 2007-06-21 Mark Barham , Jurij W. Darewych

The helium ground state nonrelativistic energy with 24 significant digits is presented. The calculations are based on variational expansion with randomly chosen exponents. This data can be used as a benchmark for other approaches for many…

Atomic Physics · Physics 2009-11-07 Vladimir I. Korobov

This study presents a systematic estimation of the relativistic correction to the binding energies of two-body hadronic molecular states by comparing the numerical solutions of the three-dimensional (3D) Schr{\"o}dinger, 3D Salpeter, and…

High Energy Physics - Phenomenology · Physics 2025-12-03 Lin-Qing Song , Hai-Qing Zhou

Accurate predictions for hydrogen molecular levels require the treatment of electrons and nuclei on an equal footing. While nonrelativistic theory has been effectively formulated this way, calculation of relativistic and quantum…

Chemical Physics · Physics 2024-01-24 Krzysztof Pachucki , Jacek Komasa

We present relativistic many-body calculations of total electron binding energy of neutral atoms up to element $Z=120$. Binding energy for ions may be found by subtracting known ionization potentials. Accuracy of the results for $17<Z…

Atomic Physics · Physics 2025-03-25 V. A. Dzuba , V. V. Flambaum , A. V. Afanasjev

We report the potential energy curve, the diagonal Born-Oppenheimer, non-adiabatic mass, relativistic, and leading-order QED corrections for the ground electronic state of the helium dimer cation; the higher-order QED and finite-nuclear…

Chemical Physics · Physics 2026-02-25 Edit Mátyus , Ádám Margócsy

Following detailed analysis of relativistic, QED and mass corrections for helium-like and lithium-like ions with static nuclei for $Z \leq 20$ the domain of applicability of Non-Relativistic QED (NRQED) is localized for ground state energy.…

Atomic Physics · Physics 2022-08-23 Alexander V. Turbiner , Juan Carlos Lopez Vieyra , Horacio Olivares-Pilon

The technique of quantum electrodynamics (QED) calculations of energy levels in the helium atom is reviewed. The calculations start with the solution of the Schr\"odinger equation and account for relativistic and QED effects by perturbation…

Atomic Physics · Physics 2021-07-14 Vladimir A. Yerokhin , Vojtech Patkos , Krzysztof Pachucki

Energy levels, wavelengths, magnetic-dipole and electric-quadrupole transition rates between the low-lying states are evaluated for W$^{51+}$ to W$^{54+}$ ions with $3d^n$ (n = 2 to 5) electronic configurations using an approach combining…

Atomic Physics · Physics 2018-01-10 M. S. Safronova , U. I. Safronova , S. G. Porsev , M. G. Kozlov , Yu. Ralchenko

Relativistic corrections communicate the binding energy of a bound state to its kinetic mass. This mechanism is reviewed and used to explain anomalous results of Collins, Edwards, Heller, and Sloan (hep-lat/9512026), which compared rest and…

High Energy Physics - Lattice · Physics 2009-10-28 Andreas S. Kronfeld

High-precision QED calculations of the ground-state ionization energies are performed for all boronlike ions with the nuclear charge numbers in the range $16 \leqslant Z\leqslant 96$. The rigorous QED calculations are performed within the…

Variational, nonrelativisitic energies have been calculated for the ground state ($^3P_g$) and the lowest quintuplet state ($^5S_u$) of the carbon atom, with wavefunctions expressed in the basis of symmetry-projected, explicitly correlated…

Chemical Physics · Physics 2020-09-21 Krzysztof Strasburger

We recalculate the leading relativistic corrections for the ground electronic state of the hydrogen molecule using variational method with explicitly correlated functions which satisfy the interelectronic cusp condition. The new…

Chemical Physics · Physics 2017-05-31 Mariusz Puchalski , Jacek Komasa , Krzysztof Pachucki

Bound state problem in the relativistic QED is investigated by the functional integral methods. The ortho- para- positron mass difference is calculated. Contribution of the "nonphysical"$~$ time variable turned out to be important and leads…

High Energy Physics - Phenomenology · Physics 2010-10-04 G. V. Efimov
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