An improved density matrix functional by physically motivated repulsive corrections O Gritsenko, K Pernal, EJ Baerends The Journal of chemical physics 122 (20), 204102, 2005 | 184 | 2005 |
Electron localizability indicator for correlated wavefunctions. I. Parallel-spin pairs M Kohout, K Pernal, FR Wagner, Y Grin Theoretical Chemistry Accounts 112 (5), 453-459, 2004 | 172 | 2004 |
Dispersionless density functional theory K Pernal, R Podeszwa, K Patkowski, K Szalewicz Physical review letters 103 (26), 263201, 2009 | 168 | 2009 |
The ground state of harmonium J Cioslowski, K Pernal The Journal of Chemical Physics 113 (19), 8434-8443, 2000 | 114 | 2000 |
Time-dependent density-matrix-functional theory K Pernal, O Gritsenko, EJ Baerends Physical Review A 75 (1), 012506, 2007 | 92 | 2007 |
A density matrix functional with occupation number driven treatment of dynamical and nondynamical correlation DR Rohr, K Pernal, OV Gritsenko, EJ Baerends The Journal of chemical physics 129 (16), 164105, 2008 | 91 | 2008 |
Constraints upon natural spin orbital functionals imposed by properties of a homogeneous electron gas J Cioslowski, K Pernal The Journal of chemical physics 111 (8), 3396-3400, 1999 | 85 | 1999 |
Extension of the Hartree− Fock plus dispersion method by first-order correlation effects R Podeszwa, K Pernal, K Patkowski, K Szalewicz The Journal of Physical Chemistry Letters 1 (2), 550-555, 2010 | 83 | 2010 |
Effective potential for natural spin orbitals K Pernal Physical review letters 94 (23), 233002, 2005 | 76 | 2005 |
Excitation energies with time-dependent density matrix functional theory: Singlet two-electron systems KJH Giesbertz, K Pernal, OV Gritsenko, EJ Baerends The Journal of chemical physics 130 (11), 114104, 2009 | 63 | 2009 |
Ionization potentials from the extended Koopmans’ theorem applied to density matrix functional theory K Pernal, J Cioslowski Chemical physics letters 412 (1-3), 71-75, 2005 | 61 | 2005 |
Electron localizability indicator for correlated wavefunctions. II Antiparallel-spin pairs M Kohout, K Pernal, FR Wagner, Y Grin Theoretical Chemistry Accounts 113 (5), 287-293, 2005 | 61 | 2005 |
Reduced density matrix functional theory (RDMFT) and linear response time-dependent rdmft (TD-RDMFT) K Pernal, KJH Giesbertz Density-Functional Methods for Excited States, 125-183, 2015 | 58 | 2015 |
Intergeminal correction to the antisymmetrized product of strongly orthogonal geminals derived from the extended random phase approximation K Pernal Journal of chemical theory and computation 10 (10), 4332-4341, 2014 | 53 | 2014 |
Excitation energies from extended random phase approximation employed with approximate one-and two-electron reduced density matrices K Chatterjee, K Pernal The Journal of chemical physics 137 (20), 204109, 2012 | 51 | 2012 |
On the exactness of simple natural spin-orbital functionals for a high-density homogeneous electron gas J Cioslowski, P Ziesche, K Pernal Physical Review B 63 (20), 205105, 2001 | 49 | 2001 |
Systematic construction of approximate one-matrix functionals for the electron-electron repulsion energy J Cioslowski, K Pernal, P Ziesche The Journal of chemical physics 117 (21), 9560-9566, 2002 | 48 | 2002 |
Orbital‐free effective embedding potential: Density‐matrix functional theory case K Pernal, TA Wesolowski International Journal of Quantum Chemistry 109 (11), 2520-2525, 2009 | 47 | 2009 |
The equivalence of the Piris Natural Orbital Functional 5 (PNOF5) and the antisymmetrized product of strongly orthogonal geminal theory K Pernal Computational and Theoretical Chemistry 1003, 127-129, 2013 | 45 | 2013 |
Combining density-functional theory and density-matrix-functional theory DR Rohr, J Toulouse, K Pernal Physical Review A 82 (5), 052502, 2010 | 43 | 2010 |