Wyczyść filtry
  • 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 
  • K. Pernal, E. J. Baerends, Coupled-perturbed density-matrix functional theory equations. Application to static polarizabilities, J. Chem. Phys. 124(1), 014102, 2006
     10.1063/1.2137325 
  • K. Pernal, J. Cioslowski, Ionization potentials from the extended Koopmans’ theorem applied to density matrix functional theory, Chem. Phys. Lett. 412(1-3), 71-75, 2005
     10.1016/j.cplett.2005.06.103 
  • K. Pernal, Effective Potential for Natural Spin Orbitals, Phys. Rev. Lett. 94(23), 233002, 2005
     10.1103/PhysRevLett.94.233002 
  • M. Kohout, K. Pernal, F. R. Wagner, Y. Grin, Electron localizability indicator for correlated wavefunctions. II Antiparallel-spin pairs, Theor. Chem. Acc. 113(5), 287-293, 2005
     10.1007/s00214-005-0671-y 
  • O. Gritsenko, K. Pernal, E. J. Baerends, An improved density matrix functional by physically motivated repulsive corrections, J. Chem. Phys. 122(20), 204102, 2005
     10.1063/1.1906203 
  • J. Cioslowski, K. Pernal, Local-density-matrix approximation: Exact asymptotic results for a high-density homogeneous electron gas, str. 113103, Marzec 2005
     10.1103/PhysRevB.71.113103 
  • M. Kohout, K. Pernal, F. R. Wagner, Y. Grin, Electron localizability indicator for correlated wavefunctions. I. Parallel-spin pairs, Theor. Chem. Acc. 112(5-6), 453-459, 2004
     10.1007/s00214-004-0615-y 
  • J. Cioslowski, K. Pernal, Size versus volume extensivity of a new class of density matrix functionals, J. Chem. Phys. 120(22), 10364-10367, 2004
     10.1063/1.1738411 
  • K. Pernal, J. Cioslowski, Phase dilemma in density matrix functional theory, J. Chem. Phys. 120(13), 5987-5992, 2004
     10.1063/1.1651059 
  • J. Cioslowski, K. Pernal, M. Buchowiecki, Approximate one-matrix functionals for the electron–electron repulsion energy from geminal theories, J. Chem. Phys. 119(13), 6443-6447, 2003
     10.1063/1.1604375 
  • P. Ziesche, K. Pernal, F. Tasnádi, New sum rules relating the 1-body momentum distribution of the homogeneous electron gas to the Kimball–Overhauser 2-body wave functions (geminals) of its pair density, Physica Status Solidi (B): Basic Research 239(1), 185-192, 2003
     10.1002/pssb.200301820 
  • M. Taut, K. Pernal, J. Cioslowski, V. Staemmler, Three electrons in a harmonic oscillator potential: Pairs versus single particles, J. Chem. Phys. 118(11), 4861-4871, 2003
     10.1063/1.1542874 
  • J. Cioslowski, N. Rao, K. Pernal, D. Moncrieff, Endohedral motions inside capped single-walled carbon nanotubes, J. Chem. Phys. 118(10), 4456-4462, 2003
     10.1063/1.1544733 
  • J. Cioslowski, K. Pernal, P. Ziesche, Systematic construction of approximate one-matrix functionals for the electron-electron repulsion energy, J. Chem. Phys. 117(21), 9560-9566, 2002
     10.1063/1.1516804