Clear filters
  • K. Chatterjee, K. Pernal, Excitation energies from extended random phase approximation employed with approximate one- and two-electron reduced density matrices, J. Chem. Phys. 137(20), 204109, 2012
  • M. Hapka, P. S. Żuchowski, M. M. Szczesniak, G. Chalasinski, Symmetry-adapted perturbation theory based on unrestricted Kohn-Sham orbitals for high-spin open-shell van der Waals complexes, J. Chem. Phys. 137(16), 164104, 2012
  • J. V. Koppen, M. Hapka, M. M. Szczesniak, G. Chalasinski, Optical absorption spectra of gold clusters Au<sub>n</sub>(n = 4, 6, 8,12, 20) from long-range corrected functionals with optimal tuning, J. Chem. Phys. 137(11), 114302, 2012
  • E. R. Sayfutyarova, A. A. Buchachenko, M. Hapka, M. M. Szczesniak, G. Chalasinski, Interactions of ThO(X) with He, Ne and Ar from the ab initio coupled cluster and symmetry adapted perturbation theory calculations, Chem. Phys. 399, 50-58, 2012
  • K. Pernal, Excitation energies from range-separated time-dependent density and density matrix functional theory, J. Chem. Phys. 136(18), 184105, 2012
  • D. R. Rohr, K. Pernal, Open-shell reduced density matrix functional theory, J. Chem. Phys. 135(7), 074104, 2011
  • D. R. Rohr, J. Toulouse, K. Pernal, Combining density-functional theory and density-matrix-functional theory, Phys. Rev. A 82(5), 052502, 2010
  • K. Pernal, Long-range density-matrix-functional theory: Application to a modified homogeneous electron gas, Phys. Rev. A 81(5), 052511, 2010
  • Ł. Rajchel, P. S. Żuchowski, M. Hapka, M. Modrzejewski, M. M. Szczesniak, G. Chalasinski, A density functional theory approach to noncovalent interactions via interacting monomer densities, Phys. Chem. Chem. Phys. 12(44), 14686, 2010
  • K. Pernal, R. Podeszwa, K. Patkowski, K. Szalewicz, Dispersionless Density Functional Theory, Phys. Rev. Lett. 103(26), 263201, 2009
  • R. Podeszwa, K. Pernal, K. Patkowski, K. Szalewicz, Extension of the Hartree−Fock Plus Dispersion Method by First-Order Correlation Effects, J. Phys. Chem. Lett. 1(2), 550-555, 2009
  • K. Giesbertz, K. Pernal, O. Gritsenko, E. J. Baerends, Excitation energies with time-dependent density matrix functional theory: Singlet two-electron systems, J. Chem. Phys. 130(11), 114104, 2009
  • A. Kiersztan, A. Baranska, M. Hapka, M. Lebiedzinska, K. Winiarska, M. Dudziak, J. Bryla, Differential action of methylselenocysteine in control and alloxan-diabetic rabbits, pp. 161-171, January 2009
  • K. Pernal, K. Szalewicz, Third-order dispersion energy from response functions, J. Chem. Phys. 130(3), 034103, 2009
  • K. Pernal, T. Wesołowski, Orbital-free effective embedding potential: Density-matrix functional theory case, Int. J. Quantum Chem. 109(11), 2520-2525, 2009
  • K. Pernal, R. Podeszwa, K. Patkowski, K. Szalewicz, Dispersionless density functional theory, Phys. Rev. Lett. 103 s.263201-1, – 1263201-4, 2009
  • K. Giesbertz, K. Pernal, O. Gritsenko, E. J. Baerends, Excitation energies with time-dependent density matrix functional theory: Singlet two-electron systems, J. Chem. Phys. 130 s.114104-1–114104-16, 2009
  • K. Pernal, T. Wesołowski, Orbital-Free Effective Embedding Potential: Density-Matrix Functional Theory Case, Int. J. Quantum Chem. 109, 2520-2525, 2009
  • K. Pernal, K. Szalewicz, Third-order dispersion energy from response functions, J. Chem. Phys. 130 s.034103-1, – 034103-7, 2009
  • D. R. Rohr, K. Pernal, O. Gritsenko, E. J. Baerends, A density matrix functional with occupation number driven treatment of dynamical and nondynamical correlation, J. Chem. Phys. 129(16), 164105, 2008