The physics behind chemistry and the periodic table.

@article{Pyykk2012ThePB,
  title={The physics behind chemistry and the periodic table.},
  author={Pekka Pyykk{\"o}},
  journal={Chemical reviews},
  year={2012},
  volume={112 1},
  pages={
          371-84
        }
}
  • P. Pyykkö
  • Published 11 January 2012
  • Education
  • Chemical reviews
View on PubMed
doi.org
147 Citations
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References

SHOWING 1-10 OF 295 REFERENCES
QUANTUM ELECTRODYNAMICS
Nuclear charge density distributions in quantum chemistry
Relativistic Quantum Chemistry
Polarization effects in the positron theory
Some of the consequences of the positron theory for the special case of impressed electrostatic fields are investigated. By imposing a restriction only on the maximum value of the field intensity,…
New approach to many-body quantum-electrodynamics calculations: merging quantum electrodynamics with many-body perturbation
A new method for bound-state quantum electrodynamics (QED) calculations on many-electron systems is presented that is a combination of the non-QED many-body technique for quasi-degenerate systems and…
Relativistic methods for chemists
1. An Introduction to Relativistic Quantum Chemistry (W.H. Eugen Schwarz).- 2. Relativistic Effects and the Chemistry of the Heavier Main Group Elements (John S. Thayer).- 3. Why do we Need…
Quantum-Electrodynamical Corrections to Energy-Levels of Helium
Quantum-electrodynamical corrections to energy levels of helium are calculated with an accuracy of a5mc~ on the basis of the Bethe-Salpeter equation according to the perturbation method of Fulton and…
Leading-order relativistic and radiative corrections to the rovibrational spectrum of H 2 + and H D + molecular ions
High-precision variational calculations for the rovibrational states in the range of the total orbital momentum $L=0--4$ and vibrational quantum number $v=0--4$ for the $\mathrm{H}_{2}{}^{+}$ and…
Calculation of radiative corrections to hyperfine splittings in the neutral alkali metals
The radiative correction to hyperfine splitting in hydrogen is dominated by the Schwinger term, {alpha}/2{pi} E{sub F}, where E{sub F} is the lowest-order hyperfine splitting. Binding corrections to…
Hyperfine structure of the state of highly charged ions
The `dynamical' model of the hyperfine structure in which the electron is assumed to interact with the valence proton through the exchange of a photon is applied to the state of highly charged ions.…
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