Correlated exponential functions in high precision calculations for diatomic molecules

Various properties of the general two-center two-electron integral over the explicitly correlated exponential function are analyzed for the potential use in high precision calculations for diatomic molecules. A compact one dimensional integral representation is found, which is suited for the numerical evaluation. Together with recurrence relations, it makes possible the calculation of the two-center two-electron integral with arbitrary powers of electron distances. Alternative approach via the Taylor series in the internuclear distance is also investigated. Although numerically slower, it can be used in cases when recurrences lose stability. Separate analysis is devoted to molecular integrals with integer powers of interelectronic distances $r_{12}$ and the vanishing corresponding nonlinear parameter. Several methods of their evaluation are proposed.Comment: 26 pages, includes two tables with exemplary calculation

Higher-order binding corrections to the Lamb shift of 2P states

We present an improved calculation of higher-order corrections to the one-loop self energy of 2P states in hydrogen-like systems with small nuclear charge Z. The method is based on a division of the integration with respect to the photon energy into a high- and a low-energy part. The high-energy part is calculated by an expansion of the electron propagator in powers of the Coulomb field. The low-energy part is simplified by the application of a Foldy-Wouthuysen transformation. This transformation leads to a clear separation of the leading contribution from the relativistic corrections and removes higher order terms. The method is applied to the 2P_{1/2} and 2P_{3/2} states in atomic hydrogen. The results lead to new theoretical values for the Lamb shifts and the fine structure splitting.Comment: 18 pages, LaTeX. In comparison to the journal version, it contains an added note (2000) which reflects the current status of Lamb shift calculation

Helium 2 3S - 2 1S metrology at 1557 nm

An experiment is proposed to excite the 'forbidden' 1s2s 3S1 - 1s2s 1S0 magnetic dipole (M1) transition at 1557 nm in a collimated and slow atomic beam of metastable helium atoms. It is demonstrated that an excitation rate of 5000 /s can be realised with the beam of a 2W narrowband telecom fiber laser intersecting the atomic beam perpendicularly. A Doppler-limited sub-MHz spectroscopic linewidth is anticipated. Doppler-free excitation of 2% of trapped and cooled atoms may be realised in a one-dimensional optical lattice geometry, using the 2W laser both for trapping and spectroscopy. The very small (8 Hz) natural linewidth of this transition presents an opportunity for accurate tests of atomic structure calculations of the helium atom. A measurement of the 3He - 4He isotope shift allows for accurate determination of the difference in nuclear charge radius of both isotopes.Comment: accepted for publication in Europhysics Letter

Prospects for precision measurements of atomic helium using direct frequency comb spectroscopy

We analyze several possibilities for precisely measuring electronic transitions in atomic helium by the direct use of phase-stabilized femtosecond frequency combs. Because the comb is self-calibrating and can be shifted into the ultraviolet spectral region via harmonic generation, it offers the prospect of greatly improved accuracy for UV and far-UV transitions. To take advantage of this accuracy an ultracold helium sample is needed. For measurements of the triplet spectrum a magneto-optical trap (MOT) can be used to cool and trap metastable 2^3S state atoms. We analyze schemes for measuring the two-photon $2^3S \to 4^3S$ interval, and for resonant two-photon excitation to high Rydberg states, $2^3S \to 3^3P \to n^3S,D$. We also analyze experiments on the singlet-state spectrum. To accomplish this we propose schemes for producing and trapping ultracold helium in the 1^1S or 2^1S state via intercombination transitions. A particularly intriguing scenario is the possibility of measuring the $1^1S \to 2^1S$ transition with extremely high accuracy by use of two-photon excitation in a magic wavelength trap that operates identically for both states. We predict a ``triple magic wavelength'' at 412 nm that could facilitate numerous experiments on trapped helium atoms, because here the polarizabilities of the 1^1S, 2^1S and 2^3S states are all similar, small, and positive.Comment: Shortened slightly and reformatted for Eur. Phys. J.

Nuclear polarizability of helium isotopes in atomic transitions

We estimate the nuclear polarizability correction to atomic transition frequencies in various helium isotopes. This effect is non-negligible for high precision tests of quantum electrodynamics or accurate determination of the nuclear charge radius from spectroscopic measurements in helium atoms and ions. In particular, it amounts to $28(3)$ kHz for 1S-2S transition in 4He+.Comment: 11 pages, 4 figures, to be published in Phys. Rev. A. Revised version: misprints corrected, new references adde

Semi-Analytic Approach to Higher-Order Corrections in Simple Muonic Bound Systems: Vacuum Polarization, Self-Energy and Radiative-Recoil

The current discrepancy of theory and experiment observed recently in muonic hydrogen necessitates a reinvestigation of all corrections to contribute to the Lamb shift in muonic hydrogen muH, muonic deuterium muD, the muonic 3He ion, as well as in the muonic 4He ion. Here, we choose a semi-analytic approach and evaluate a number of higher-order corrections to vacuum polarization (VP) semi-analytically, while remaining integrals over the spectral density of VP are performed numerically. We obtain semi-analytic results for the second-order correction, and for the relativistic correction to VP. The self-energy correction to VP is calculated, including the perturbations of the Bethe logarithms by vacuum polarization. Subleading logarithmic terms in the radiative-recoil correction to the 2S-2P Lamb shift of order alpha (Zalpha)^5 mu^3 ln(Zalpha)/(m_mu m_N) are also obtained. All calculations are nonperturbative in the mass ratio of orbiting particle and nucleus.Comment: 10 pages; svjour style; to appear in the European Physical Journal