Approximate one-matrix functionals for the electron–electron repulsion energy from geminal theories J Cioslowski, K Pernal, M Buchowiecki The Journal of chemical physics 119 (13), 6443-6447, 2003 | 42 | 2003 |
Kinetic isotope effect in malonaldehyde determined from path integral Monte Carlo simulations J Huang, M Buchowiecki, T Nagy, J Vaníček, M Meuwly Physical Chemistry Chemical Physics 16 (1), 204-211, 2014 | 41 | 2014 |
Ro-vibrational coupling in high temperature thermochemistry of the BBr molecule M Buchowiecki Chemical Physics Letters 692, 236-241, 2018 | 31 | 2018 |
Direct evaluation of the temperature dependence of the rate constant based on the quantum instanton approximation M Buchowiecki, J Vaníček The Journal of chemical physics 132 (19), 2010 | 31 | 2010 |
Monte Carlo evaluation of the equilibrium isotope effects using the Takahashi–Imada factorization of the Feynman path integral M Buchowiecki, J Vaníček Chemical Physics Letters 588, 11-16, 2013 | 25 | 2013 |
Density matrix functional theory of four-electron systems J Cioslowski, M Buchowiecki, P Ziesche The Journal of chemical physics 119 (22), 11570-11573, 2003 | 24 | 2003 |
On the exclusion of the negative contribution to the molecular partition function M Buchowiecki Molecular Physics 117 (13), 1640-1644, 2019 | 23 | 2019 |
Wigner molecules: Natural orbitals of strongly correlated two-electron harmonium J Cioslowski, M Buchowiecki The Journal of chemical physics 125 (6), 2006 | 22 | 2006 |
Quantum calculations of the temperature dependence of the rate constant and the equilibrium constant for the NH3+ H⇌ NH2+ H2 reaction M Buchowiecki Chemical Physics Letters 531, 202-205, 2012 | 20 | 2012 |
Partition functions of thermally dissociating diatomic molecules and related momentum problem M Buchowiecki Chemical Physics Letters 687, 227-232, 2017 | 15 | 2017 |
Collective natural orbital occupancies of harmonium J Cioslowski, M Buchowiecki The Journal of chemical physics 122 (8), 2005 | 13 | 2005 |
High-temperature ideal-gas partition function of the molecule M Buchowiecki Journal of Physics B: Atomic, Molecular and Optical Physics 52 (15), 155101, 2019 | 10 | 2019 |
Coulomb crystals of few particles: Closed-form expressions for equilibrium energies and geometries, and vibrational force constants J Cioslowski, M Buchowiecki Chemical Physics Letters 456 (4-6), 146-149, 2008 | 10 | 2008 |
Vibrational partition function for the multitemperature theories of high-temperature flows of gases and plasmas M Buchowiecki The Journal of Physical Chemistry A 124 (20), 4048-4052, 2020 | 8 | 2020 |
Elementary isotope effects–Sensitivity to potential energy shape M Buchowiecki Chemical Physics Letters 635, 196-200, 2015 | 8 | 2015 |
Simple approximants for natural orbitals of harmonium J Cioslowski, M Buchowiecki The Journal of chemical physics 123 (23), 2005 | 8 | 2005 |
High-temperature collision integrals for m-6-8 and Hulburt–Hirschfelder potentials M Buchowiecki International Journal of Thermophysics 43 (3), 38, 2022 | 7 | 2022 |
Uncertainty of High Temperature Heat Capacities: The Case Study of the NH Radical M Buchowiecki The Journal of Physical Chemistry A 125 (3), 795-800, 2021 | 7 | 2021 |
The ratios of partition functions at different temperatures–Sensitivity to potential energy shape II M Buchowiecki Chemical Physics Letters 652, 32-35, 2016 | 7 | 2016 |
Collision Integrals for Nitrogen and Hydrogen Ionized Gas: The Exact Values and Assessment of Approximations M Buchowiecki, P Szabó Plasma Chemistry and Plasma Processing 43 (2), 449-465, 2023 | 6 | 2023 |