| Projector augmented-wave method PE Blöchl Physical Review B 50 (24), 17953, 1994 | 87031 | 1994 |
| Improved tetrahedron method for Brillouin-zone integrations PE Blöchl, O Jepsen, OK Andersen Physical Review B 49 (23), 16223, 1994 | 7654 | 1994 |
| Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations R Dronskowski, PE Bloechl The Journal of Physical Chemistry 97 (33), 8617-8624, 1993 | 3862 | 1993 |
| Implementation of the projector augmented-wave LDA+ U method: Application to the electronic structure of NiO O Bengone, M Alouani, P Blöchl, J Hugel Physical Review B 62 (24), 16392, 2000 | 660 | 2000 |
| Först, and Johannes Schimpl PE Blöchl, J Clemens Bull. Mater. Sci 26, 33, 2003 | 529* | 2003 |
| First-principles calculations of defects in oxygen-deficient silica exposed to hydrogen PE Blöchl Physical Review B 62 (10), 6158, 2000 | 462 | 2000 |
| Adiabaticity in first-principles molecular dynamics PE Blöchl, M Parrinello Physical Review B 45 (16), 9413, 1992 | 413 | 1992 |
| Native defects and self-compensation in ZnSe DB Laks, CG Van de Walle, GF Neumark, PE Blöchl, ST Pantelides Physical Review B 45 (19), 10965, 1992 | 391 | 1992 |
| Generalized separable potentials for electronic-structure calculations PE Blöchl Physical Review B 41 (8), 5414, 1990 | 383 | 1990 |
| The interface between silicon and a high-k oxide CJ Först, CR Ashman, K Schwarz, PE Blöchl Nature 427 (6969), 53-56, 2004 | 373 | 2004 |
| Hydrogen electrochemistry and stress-induced leakage current in silica PE Blöchl, JH Stathis Physical review letters 83 (2), 372, 1999 | 355 | 1999 |
| First-principles calculations of self-diffusion constants in silicon PE Blöchl, E Smargiassi, R Car, DB Laks, W Andreoni, ST Pantelides Physical review letters 70 (16), 2435, 1993 | 344 | 1993 |
| First-principles calculations of hyperfine parameters CG Van de Walle, PE Bloechl Physical Review B 47 (8), 4244, 1993 | 334 | 1993 |
| Electrostatic decoupling of periodic images of plane‐wave‐expanded densities and derived atomic point charges PE Blöchl The Journal of chemical physics 103 (17), 7422-7428, 1995 | 297 | 1995 |
| Implementation of an all-electron GW approximation based on the projector augmented wave method without plasmon pole approximation: Application to Si, SiC, AlAs, InAs, NaH, and KH S Lebègue, B Arnaud, M Alouani, PE Bloechl Physical Review B 67 (15), 155208, 2003 | 264 | 2003 |
| Electric-field-gradient calculations using the projector augmented wave method HM Petrilli, PE Blöchl, P Blaha, K Schwarz Physical Review B 57 (23), 14690, 1998 | 263 | 1998 |
| Method and system for prioritization of task items P Bloechl, M Stolze, K Whittingham US Patent App. 10/713,931, 2005 | 221 | 2005 |
| Toward an alkene hydroamination catalyst: static and dynamic ab initio DFT studies HM Senn, PE Blöchl, A Togni Journal of the American Chemical Society 122 (17), 4098-4107, 2000 | 216 | 2000 |
| A combined Car− Parrinello QM/MM implementation for ab initio molecular dynamics simulations of extended systems: application to transition metal catalysis TK Woo, PM Margl, PE Blöchl, T Ziegler The Journal of Physical Chemistry B 101 (40), 7877-7880, 1997 | 187 | 1997 |
| Combined Static and Dynamic Density Functional Study of the Ti (IV) Constrained Geometry Catalyst (CpSiH2NH) TiR+. 1. Resting States and Chain Propagation TK Woo, PM Margl, JCW Lohrenz, PE Blöchl, T Ziegler Journal of the American Chemical Society 118 (51), 13021-13030, 1996 | 186 | 1996 |
Ole Krogh AndersenDirector em. Max Planck Institute for Solid State Research, StuttgartOverená e-mailová adresa na: fkf.mpg.de
