Wyczyść filtry
  • D. R. Rohr, J. Toulouse, K. Pernal, Combining density-functional theory and density-matrix-functional theory, Phys. Rev. A 82(5), 052502, 2010
     10.1103/PhysRevA.82.052502 
  • K. Pernal, Long-range density-matrix-functional theory: Application to a modified homogeneous electron gas, Phys. Rev. A 81(5), 052511, 2010
     10.1103/PhysRevA.81.052511 
  • 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
     10.1039/c0cp00626b 
  • K. Pernal, R. Podeszwa, K. Patkowski, K. Szalewicz, Dispersionless Density Functional Theory, Phys. Rev. Lett. 103(26), 263201, 2009
     10.1103/PhysRevLett.103.263201 
  • 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
     10.1021/jz9002444 
  • 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
     10.1063/1.3079821 
  • A. Kiersztan, A. Baranska, M. Hapka, M. Lebiedzinska, K. Winiarska, M. Dudziak, J. Bryla, Differential action of methylselenocysteine in control and alloxan-diabetic rabbits, str. 161-171, Styczeń 2009
     10.1016/j.cbi.2008.10.022 
  • K. Pernal, K. Szalewicz, Third-order dispersion energy from response functions, J. Chem. Phys. 130(3), 034103, 2009
     10.1063/1.3058477 
  • K. Pernal, T. Wesołowski, Orbital-free effective embedding potential: Density-matrix functional theory case, Int. J. Quantum Chem. 109(11), 2520-2525, 2009
     10.1002/qua.22016 
  • 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
     10.1063/1.2998201 
  • E. Cancès, K. Pernal, Projected gradient algorithms for Hartree-Fock and density matrix functional theory calculations, J. Chem. Phys. 128(13), 134108, 2008
     10.1063/1.2888550 
  • K. Pernal, K. Giesbertz, O. Gritsenko, E. J. Baerends, Adiabatic approximation of time-dependent density matrix functional response theory, J. Chem. Phys. 127(21), 214101, 2007
     10.1063/1.2800016 
  • K. Pernal, O. Gritsenko, E. J. Baerends, Time-dependent density-matrix-functional theory, Phys. Rev. A 75(1), 012506, 2007
     10.1103/PhysRevA.75.012506 
  • K. Pernal, J. Cioslowski, Frequency-dependent response properties and excitation energies from one-electron density matrix functionals, Phys. Chem. Chem. Phys. 9(45), 5956, 2007
     10.1039/b704797e 
  • J. Cioslowski, K. Pernal, Unoccupied natural orbitals in two-electron Coulombic systems, Chem. Phys. Lett. 430(1-3), 188-190, 2006
     10.1016/j.cplett.2006.08.111 
  • J. Cioslowski, K. Pernal, Wigner molecules: The strong-correlation limit of the three-electron harmonium, J. Chem. Phys. 125(6), 064106, 2006
     10.1063/1.2222361