Peter E. Blöchl
TitleCited byYear
Projector augmented-wave method
PE Blöchl
Physical Review B 50 (24), 17953, 1994
419471994
Improved tetrahedron method for Brillouin-zone integrations
PE Blöchl, O Jepsen, OK Andersen
Physical Review B 49 (23), 16223, 1994
50681994
Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations
R Dronskowski, PE Blöchl
The Journal of Physical Chemistry 97 (33), 8617-8624, 1993
15371993
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
4462000
Adiabaticity in first-principles molecular dynamics
PE Blöchl, M Parrinello
Physical Review B 45 (16), 9413, 1992
3521992
First-principles calculations of defects in oxygen-deficient silica exposed to hydrogen
PE Blöchl
Physical Review B 62 (10), 6158, 2000
3412000
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
3301992
The interface between silicon and a high-k oxide
CJ Först, CR Ashman, K Schwarz, PE Blöchl
Nature 427 (6969), 53, 2004
3192004
Generalized separable potentials for electronic-structure calculations
PE Blöchl
Physical Review B 41 (8), 5414, 1990
3081990
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
3041993
Hydrogen electrochemistry and stress-induced leakage current in silica
PE Blöchl, JH Stathis
Physical review letters 83 (2), 372, 1999
3021999
Först, and Johannes Schimpl
PE Blöchl, J Clemens
Bull. Mater. Sci 26, 33, 2003
280*2003
First-principles calculations of hyperfine parameters
CG Van de Walle, PE Blöchl
Physical Review B 47 (8), 4244, 1993
2631993
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
2311995
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
2092003
Method and system for prioritization of task items
P Bloechl, M Stolze, K Whittingham
US Patent App. 10/713,931, 2005
1892005
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
1892000
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
1851998
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
1701996
First-principles investigation of enantioselective catalysis: asymmetric allylic amination with Pd complexes bearing P, N-ligands
PE Blöchl, A Togni
Organometallics 15 (20), 4125-4132, 1996
1631996
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Articles 1–20