Relativistic methods

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  • (bq) part 2 book "introduction to computational chemistry" has contents: valence bond methods, relativistic methods, wave function analysis, molecular properties, illustrating the concepts, optimization techniques, statistical mechanics and transition state theory, simulation techniques, qualitative theories,...and other contents.

    pdf332p bautroibinhyen20 06-03-2017 26 3   Download

  • Special and general relativity are the theories describing the physics of space and time. Space and time are explored with clocks and electromagnetic signals. Therefore, special and general relativity are related to precise clocks and the thorough understanding of signal propagation. The ever-increasing accuracy of clocks together with novel methods for precision time transfer and clock synchronization are pivotal for the new generation of experiments probing the validity of Einstein’s theories from subatomic distances to cosmic scales....

    pdf660p tom_123 14-11-2012 42 6   Download

  • The configuration interaction technique is combined with the many-body perturbation theory to construct the many-electron wave function for valence electrons and to include corevalence correlations. The good agreement of the results of our calculation with experiment data illustrates the power of the method.

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  • The hyperfine-structure constants of the lowest s and p1/2 states of superheavy elements E113 and E114+ are presented in this article. The relativistic Hartree-Fock method with the core polarization being taken into account by means of the many-body perturbation theory. Breit and quantum electrodynamic (QED) effects are also considered. Similar calculations for Tl and Pb+ are used to gauge the accuracy of the calculations.

    pdf6p danhvi10 22-11-2018 12 0   Download

  • The energy levels of the heavy elements In, Sn+ and Sn are presented in this article. Dominating corrections beyond the relativistic Hartree-Fock method are included to all orders in the Coulomb interaction using the Feynman diagram technique and the correlation potential method.

    pdf9p danhvi10 22-11-2018 9 0   Download



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