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  • 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
     10.1063/1.4766934 
  • 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
     10.1063/1.4758455 
  • 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
     10.1063/1.4752433 
  • 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
     10.1016/j.chemphys.2011.05.007 
  • K. Pernal, Excitation energies from range-separated time-dependent density and density matrix functional theory, J. Chem. Phys. 136(18), 184105, 2012
     10.1063/1.4712019 
  • D. R. Rohr, K. Pernal, Open-shell reduced density matrix functional theory, J. Chem. Phys. 135(7), 074104, 2011
     10.1063/1.3624609 
  • 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, pp. 161-171, January 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 
  • 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, pp. 113103, March 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 
  • J. Cioslowski, K. Pernal, Variational density matrix functional theory calculations with the lowest-order Yasuda functional, J. Chem. Phys. 117(1), 67-71, 2002
     10.1063/1.1481384 
  • J. Cioslowski, K. Pernal, Density matrix functional theory of weak intermolecular interactions, J. Chem. Phys. 116(12), 4802, 2002
     10.1063/1.1446028 
  • J. Cioslowski, P. Ziesche, K. Pernal, Description of a high-density homogeneous electron gas with the Yasuda density matrix functional, J. Chem. Phys. 115(19), 8725-8730, 2001
     10.1063/1.1412604 
  • J. Cioslowski, K. Pernal, Response properties and stability conditions in density matrix functional theory, J. Chem. Phys. 115(13), 5784-5790, 2001
     10.1063/1.1383292 
  • W. Bartczak, K. Pernal, Potential traps for an excess electron in liquid water: the trap lifetime distributions, pp. 891-900, October 2001
     10.1163/15685670152622158 
  • W. Bartczak, J. Kroh, M. Zapalowski, K. Pernal, Computer simulation of water and concentrated ionic solutions. Potential fluctuations and electron localization, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 359(1785), 1593-1609, 2001
     10.1098/rsta.2001.0867 
  • J. Cioslowski, N. Rao, A. SZARECKA, K. Pernal, Theoretical thermochemistry of the C<sub>60</sub>F<sub>18</sub>, C<sub>60</sub>F<sub>36</sub>, and C<sub>60</sub>F<sub>48</sub>fluorofullerenes, Mol. Phys. 99(14), 1229-1232, 2001
     10.1080/00268970110047915 
  • J. Cioslowski, P. Ziesche, K. Pernal, On the exactness of simple natural spin-orbital functionals for a high-density homogeneous electron gas, pp. 205105, April 2001
     10.1103/PhysRevB.63.205105 
  • K. Pernal, J. Cioslowski, On the validity of the extended Koopmans’ theorem, J. Chem. Phys. 114(10), 4359, 2001
     10.1063/1.1336543 
  • W. Bartczak, K. Pernal, Potential traps for an excess electron in liquid water. Geometry, energy distributions and lifetime, Computers and Chemistry 24(3-4), 469-482, 2000
     10.1016/S0097-8485(99)00083-2 
  • J. Cioslowski, K. Pernal, Description of a homogeneous electron gas with simple functionals of the one-particle density matrix, Phys. Rev. A 61(3), 034503, 2000
     10.1103/PhysRevA.61.034503 
  • J. Cioslowski, K. Pernal, Constraints upon natural spin orbital functionals imposed by properties of a homogeneous electron gas, J. Chem. Phys. 111(8), 3396-3400, 1999
     10.1063/1.479623