Research highlights

Scientific achievements by present members of the Quantum Chemistry Laboratory and Prof. Włodzimierz Kołos include:
  • over 952 research papers
  • over 31393 citations
  • estimated laboratory h-index: 82 (Web of Science, November 2018)

The most cited papers

The most cited papers of the Quantum Chemistry Laboratory (with over 190 citations, Web of Science, November 2018) by present members of QChL and Włodzimierz Kołos:
  1. W. Kołos, L. Wolniewicz
    Potential-Energy Curves for the X 1Σ+g, b3Σ+u, and C 1Πu States of the Hydrogen Molecule
    J. Chem. Phys. 43, 7, 2429 (1965) (over 1355 citations)
  2. B. Jeziorski, R. Moszynski, K. Szalewicz
    Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes
    Chemical Reviews 94(7), 1887 (1994) (over 1530 citations)
  3. W. Kolos, C.C.J. Roothaan
    Accurate Electronic Wave Functions for the H2 Molecule
    Rev. Mod. Phys. 32, 219 (1960) (over 685 citations)
  4. G. Chalasinski, M.M. Szczesniak
    Origins of Structure and Energetics of van der Waals Clusters from ab Initio Calculations
    Chem. Rev., 1994, 94 (7), 1723 (over 694 citations)
  5. B. Jeziorski, H.J. Monkhorst
    Coupled-cluster method for multideterminantal reference states
    Phys. Rev. A 24, 1668 (1981) (over 696 citations)
  6. W. Kołos, L. Wolniewicz
    Accurate Adiabatic Treatment of the Ground State of the Hydrogen Molecule
    J. Chem. Phys. 41, 3663 (1964) (over 595 citations)
  7. W. Kołos, L. Wolniewicz
    Improved Theoretical Ground‐State Energy of the Hydrogen Molecule
    J. Chem. Phys. 49, 404 (1968) (over 533 citations)
  8. W. Kołos, L. Wolniewicz
    Polarizability of the Hydrogen Molecule
    J. Chem. Phys. 46, 1426 (1967) (over 486 citations)
  9. G. Chalasinski, M.M. Szczesniak
    State of the Art and Challenges of the ab Initio Theory of Intermolecular Interactions
    Chem. Rev., 100(11), 4227 (2000) (over 421 citations)
  10. G. Chalasinski, M. Gutowski
    Weak interactions between small systems. Models for studying the nature of intermolecular forces and challenging problems for ab initio calculations
    Chem. Rev., 88(6), pp 943 (1988) (over 283 citations)
  11. K. Szalewicz, S.J. Col, W. Kołos, R.J. Bartlett
    A theoretical study of the water dimer interaction
    J. Chem. Phys. 89, 3662 (1988) (over 278 citations)
  12. G. Chalasinski, M.M. Szczesniak
    On the connection between the supermolecular Møller-Plesset treatment of the interaction energy and the perturbation theory of intermolecular forces
    Mol. Phys. 63, 2, 205 (1988) (over 281 citations)
  13. W. Kołos
    Possible improvements of the interaction energy calculated using minimal basis sets
    Theoret. Chim. Acta (Bed.) 51, 219 (1979) (over 257 citations)
  14. B. Jeziorski, M. van Hemert
    Variation-perturbation treatment of the hydrogen bond between water molecules
    Mol. Phys. 31, 3, 713 (1976) (over 261 citations)
  15. S. Rybak, B. Jeziorski, K. Szalewicz
    Many‐body symmetry‐adapted perturbation theory of intermolecular interactions. H2O and HF dimers
    J. Chem. Phys. 95, 6576 (1991) (over 280 citations)
  16. L. Piela, J. Kostrowicki, H.A. Scheraga
    On the multiple-minima problem in the conformational analysis of molecules: deformation of the potential energy hypersurface by the diffusion equation method
    J. Phys. Chem., 93 (8), 3339, (1989) (over 254 citations)
  17. W. Kołos, K. Szalewicz, H.J. Monkhorst
    New Born–Oppenheimer potential energy curve and vibrational energies for the electronic ground state of the hydrogen molecule
    J. Chem. Phys. 84, 3278 (1986) (over 260 citations)
  18. W. Kołos, L. Wolniewicz
    Nonadiabatic Theory for Diatomic Molecules and Its Application to the Hydrogen Molecule
    Rev. Mod. Phys. 35, 473 (1963) (over 256 citations)
  19. T. Korona, H.L. Williams, R. Bukowski, B. Jeziorski, K. Szalewicz
    Helium dimer potential from symmetry-adapted perturbation theory calculations using large Gaussian geminal and orbital basis sets
    J. Chem. Phys. 106, 5109 (1997) (over 255 citations)
  20. W. Kołos, L. Wolniewicz
    Potential‐Energy Curve for the B1Σ+u State of the Hydrogen Molecule
    J. Chem. Phys. 45, 509 (1966) (over 232 citations)
  21. W. Kołos, L. Wolniewicz
    Variational Calculation Of The Long-Range Interaction Between Two Ground-State Hydrogen-Atoms
    Chem. Phys. Lett. 24, 4, 457 (1974) (over 234 citations)
  22. A.J. Misquitta, R. Podeszwa, B. Jeziorski, K. Szalewicz
    Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations
    J. Chem. Phys. 123, 214103 (2005) (over 306 citations)
  23. R. Bukowski, J. Sadlej, B. Jeziorski, P. Jankowski, K. Szalewicz, S.A. Kucharski, H.L. Williams, and B.M. Rice
    Intermolecular potential of carbon dioxide dimer from symmetry-adapted perturbation theory
    J. Chem. Phys. 110, 3785 (1999) (over 244 citations)
  24. A.J. Misquitta, B. Jeziorski, K. Szalewicz
    Dispersion energy from density-functional theory description of monomers
    Phys. Rev. Lett. 91, 033201 (2003) (over 275 citations)
  25. W. Kołos, L. Wolniewicz
    Vibrational and Rotational Energies for the B1Σu+, C1Πu, and a3Σg+ States of the Hydrogen Molecule
    J. Chem. Phys. 48, 3672 (1968) (over 210 citations)
  26. K. Szalewicz, B. Jeziorski
    Symmetry-adapted double-perturbation analysis of intramolecular correlation effects in weak intermolecular interactions: The He-He interaction
    Mol. Phys. 38, 191 (1979) (over 208 citations)
  27. B. Jeziorski, J. Paldus
    Spin‐adapted multireference coupled‐cluster approach: Linear approximation for two closed‐shell‐type reference configurations
    J. Chem. Phys. 88, 5673 (1988) (over 215 citations)
  28. B. Jeziorski, J. Paldus
    Valence universal exponential ansatz and the cluster structure of multireference configuration interaction wave function
    J. Chem. Phys. 90, 2714 (1989) (over 196 citations)
  29. W. Kolos, C.C.J. Roothaan
    Correlated Orbitals for the Ground State of the Hydrogen Molecule
    Rev. Mod. Phys. 32, 205–210 (1960) (over 196 citations)