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  1. On the Complementarity of the Harmonic Oscillator Model and the Classical Wigner–Kirkwood Corrected Partition Functions of Diatomic Molecules

    Article • Entropy, July 2020, MDPI AG

    Marcin Buchowiecki

  2. Vibrational Partition Function for the Multitemperature Theories of High-Temperature Flows of Gases and Plasmas

    Article • The Journal of Physical Chemistry A, April 2020, American Chemical Society (ACS)

    Marcin Buchowiecki

  3. The High Temperature Vibrational Partition Function of Stretching of Triatomic Systems

    Article • Plasma Chemistry and Plasma Processing, March 2020, Springer Science + Business Media

    Marcin Buchowiecki

  4. High-temperature ideal-gas partition function of the ${{\rm{H}}}_{2}^{+}$ molecule

    Article • Journal of Physics B Atomic Molecular and Optical Physics, July 2019, Institute of Physics Publishing

    Marcin Buchowiecki

  5. High-Temperature Heat Capacity of the $${\text {Na}}_{2}$$ Molecule

    Article • International Journal of Thermophysics, July 2019, Springer Science + Business Media

    Marcin Buchowiecki

  6. On the exclusion of the negative contribution to the molecular partition function

    Article • Molecular Physics, December 2018, Taylor & Francis

    Marcin Buchowiecki

  7. Ro-vibrational coupling in high temperature thermochemistry of the BBr molecule

    Article • Chemical Physics Letters, January 2018, Elsevier

    Marcin Buchowiecki

  8. Partition functions of thermally dissociating diatomic molecules and related momentum problem

    Article • Chemical Physics Letters, November 2017, Elsevier

    Marcin Buchowiecki

  9. High temperature partition function – a key role of ro-vibrational coupling and inflection points

    Article • Molecular Physics, June 2017, Taylor & Francis

    Marcin Buchowiecki

  10. The ratios of partition functions at different temperatures – Sensitivity to potential energy shape II

    Article • Chemical Physics Letters, May 2016, Elsevier

    Marcin Buchowiecki

  11. Elementary isotope effects – Sensitivity to potential energy shape

    Article • Chemical Physics Letters, August 2015, Elsevier

    Marcin Buchowiecki

  12. Path integral Monte Carlo with the Takahashi–Imada approximation for the temperature dependence of the equilibrium constant

    Article • Chemical Physics, March 2014, Elsevier

    Marcin Buchowiecki

  13. Kinetic isotope effect in malonaldehyde determined from path integral Monte Carlo simulations

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Marcin Buchowiecki

  14. Monte Carlo evaluation of the equilibrium isotope effects using the Takahashi–Imada factorization of the Feynman path integral

    Article • Chemical Physics Letters, November 2013, Elsevier

    Marcin Buchowiecki

  15. TI/PIMC METHOD WITH THE TAKAHASHI–IMADA APPROXIMATION FOR THE EQUILIBRIUM CONSTANT OF THE O + HCl ⇌ OH + Cl REACTION

    Article • Journal of Theoretical and Computational Chemistry, June 2013, World Scientific Pub Co Pte Lt

    Marcin Buchowiecki

  16. Quantum calculations of the temperature dependence of the rate constant and the equilibrium constant for the NH3+H⇌NH2+H2 reaction

    Article • Chemical Physics Letters, April 2012, Elsevier

    Marcin Buchowiecki

  17. THE RATE CONSTANT OF THE O(3P) + HCl → OH + Cl REACTION WITHIN QUANTUM INSTANTON APPROXIMATION

    Article • Journal of Theoretical and Computational Chemistry, February 2012, World Scientific Pub Co Pte Lt

    Marcin Buchowiecki

  18. Temperature dependence of the rate constant of ionic analogs of H + H2 → H2 + H reaction by quantum instanton method

    Article • International Journal of Quantum Chemistry, April 2011, Wiley

    Marcin Buchowiecki

  19. Direct evaluation of the temperature dependence of the rate constant based on the quantum instanton approximation

    Article • The Journal of Chemical Physics, May 2010, American Institute of Physics

    Marcin Buchowiecki

  20. Coulomb crystals of few particles: Closed-form expressions for equilibrium energies and geometries, and vibrational force constants

    Article • Chemical Physics Letters, May 2008, Elsevier

    Marcin Buchowiecki

  21. Wigner molecules: Natural orbitals of strongly correlated two-electron harmonium

    Article • The Journal of Chemical Physics, August 2006, American Institute of Physics

    Marcin Buchowiecki

  22. Simple approximants for natural orbitals of harmonium

    Article • The Journal of Chemical Physics, December 2005, American Institute of Physics

    Marcin Buchowiecki

  23. Collective natural orbital occupancies of harmonium

    Article • The Journal of Chemical Physics, February 2005, American Institute of Physics

    Marcin Buchowiecki

  24. Density matrix functional theory of four-electron systems

    Article • The Journal of Chemical Physics, December 2003, American Institute of Physics

    Marcin Buchowiecki

  25. Approximate one-matrix functionals for the electron–electron repulsion energy from geminal theories

    Article • The Journal of Chemical Physics, October 2003, American Institute of Physics

    Marcin Buchowiecki