Biomedical subjects

Krzysztof Pachucki

Publications and source records attributed to Krzysztof Pachucki.

9 recordsLinked to original sources

PubMed2006

Electron affinity of 7Li.

Variationally optimized exponentially correlated Gaussian functions are employed to obtain nonrelativistic wave functions of the lithium atom and its negative ion. The energy levels are computed by means of the expansion in powers of the fine-structure constant alpha. The first term of this expansion corresponds to the nonrelativistic energy. The higher order terms represent the relativistic and radiative corrections and are determined by some effective Hamiltonians. Highly accurate expectation values of singular operators entering these Hamiltonians are computed using a set of expectation value identities. The resulting electron affinity of lithium atom 4984.96(18) cm(-1) agrees very well with 4984.90(17) cm(-1) of the latest measurements.

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PubMed2006

Improved theory of helium fine structure.

Improved theoretical predictions for the fine-structure splitting of 2(3)PJ levels in helium are obtained by the calculation of contributions of order alpha5 Ry. New results for transition frequencies nu(01) = 29616943.01(17) kHz and nu(12) = 2291161.13(30) kHz disagree significantly with the experimental values, indicating an outstanding problem in bound state QED.

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PubMed2006

Radiative correction to the helium dimer interaction energy.

The leading-order radiative correction to the helium-helium interaction energy at the equilibrium internuclear distance has been calculated for the first time. The result is -1.27(2) mK. The calculations were performed using a new technique of evaluating expectation values of singular operators in connection with the most accurate wave functions of He(2) available today-the exponentially correlated Gaussian functions.

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PubMed2005

Relativistic correction to the helium dimer interaction energy.

The lowest-order relativistic correction to the helium-helium interaction energy has been calculated for the first time, using two independent methods based on expansions in explicitly correlated Gaussian functions. At the equilibrium interatomic distance of 5.6 bohr, this correction amounts to +15.4 +/- 0.6 mK. As a by-product, a new upper bound of -10.9985 K for the nonrelativistic Born-Oppenheimer interaction energy has been obtained.

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PubMed2005

Calculation of the one- and two-loop lamb shift for arbitrary excited hydrogenic states.

General expressions for quantum electrodynamic corrections to the one-loop self-energy [of order alpha(Zalpha)6] and for the two-loop Lamb shift [of order alpha2(Zalpha)6] are derived. The latter includes all diagrams with closed fermion loops. The general results are valid for arbitrary excited non-S hydrogenic states and for the normalized Lamb shift difference of states, defined as Delta N = n3deltaE(nS) - delta E(1S). We present numerical results for one-loop and two-loop corrections for excited S, P, and D states. In particular, the normalized Lamb shift difference of states is calculated with an uncertainty of order 0.1 kHz.

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PubMed2005

On the acceleration of the convergence of singular operators in Gaussian basis sets.

Gaussian type wave functions do not reproduce the interparticle cusps which result in a slow convergence of the expectation values of the operators involved in calculations of the relativistic and QED energy corrections. Methods correcting this deficiency are the main topic discussed in this paper. Benchmark expectation values of the singular operators for several few-electron systems are presented.

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PubMed2004

Nonrelativistic QED approach to the bound-electron g factor.

Within a systematic approach based on nonrelativistic quantum electrodynamics, we derive the one-loop self-energy correction of order alpha(Z alpha)(4) to the bound-electron g factor. In combination with numerical data, this analytic result improves theoretical predictions for the self-energy correction for carbon and oxygen by an order of magnitude. Basing on one-loop calculations, we obtain the logarithmic two-loop contribution of order alpha(2)(Z alpha)(4)ln([(Z alpha)(-2)] and the dominant part of the corresponding constant term. The results obtained improve the accuracy of the theoretical predictions for the 1S bound-electron g factor and influence the value of the electron mass determined from g-factor measurements.

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PubMed2004

Relativistic and QED corrections for the beryllium atom.

Complete relativistic and quantum electrodynamics corrections of order alpha(2) Ry and alpha(3) Ry are calculated for the ground state of the beryllium atom and its positive ion. A basis set of correlated Gaussian functions is used, with exponents optimized against nonrelativistic binding energies. The results for Bethe logarithms ln(k(0)(Be)=5.750 34(3) and ln(k(0)(Be+)=5.751 67(3) demonstrate the availability of high precision theoretical predictions for energy levels of the beryllium atom and light ions. Our recommended value of the ionization potential 75 192.514(80) cm(-1) agrees with equally accurate available experimental values.

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PubMed2003

Two-loop Bethe-logarithm correction in hydrogenlike atoms.

We calculate the two-loop Bethe logarithm correction to atomic energy levels in hydrogenlike systems. The two-loop Bethe logarithm is a low-energy quantum electrodynamic (QED) effect involving multiple summations over virtual excited atomic states. Although much smaller in absolute magnitude than the well-known one-loop Bethe logarithm, the two-loop analog is quite significant when compared to the current experimental accuracy of the 1S-2S transition: It contributes -8.19 and -0.84 kHz for the 1S and the 2S state, respectively. The two-loop Bethe logarithm has been the largest unknown correction to the hydrogen Lamb shift to date. Together with the ongoing measurement of the proton charge radius at the Paul Scherrer Institute, its calculation will bring theoretical and experimental accuracy for the Lamb shift in atomic hydrogen to the level of 10(-7).

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