Peter Blaha

Atomic and Molecular Physics, and Optics · 2001–2020

A researcher in the Science corpus: 20 papers; trusts 10 researchers and is trusted by 21 researchers here, as inferred from the citation graph.

Subfields

• Atomic and Molecular Physics, and Optics — 132 citations into it; #640 of 7,135 by trust here, #703 by citations
• Materials Chemistry — 108 citations into it; #1,351 of 11,513 by trust here, #2,676 by citations
• Computational Chemistry & Drug Discovery — 16 citations into it
• Biomedical Engineering — 10 citations into it; #8,866 of 10,734 by trust here, #5,809 by citations
• Surfaces, Coatings and Films — 10 citations into it

Whom Peter Blaha trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. J. Perdew
2. Axel D. Becke
3. Fabien Tran
4. Karlheinz Schwarz
5. Jochen Heyd
6. M. Ernzerhof
7. Kieron Burke
8. Gustavo E. Scuseria
9. Georg K. H. Madsen
10. Joachim A. Paier

Who trusts Peter Blaha overall

1. Alberto Otero-de-la-Roza
2. Víctor Luaña
3. R. Jishi
4. Fabien Tran
5. Pedro Borlido
6. Karlheinz Schwarz
7. M. Blanco
8. Vei Wang
9. O. Ta
10. Erin R. Johnson

Papers from Peter Blaha's perspective

Ordered by how strongly the researchers Peter Blaha trusts endorse each paper. Same corpus, a different order for every researcher.

1. Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
2. Ab initio molecular simulations with numeric atom-centered orbitals
3. Full-Potential Electronic Structure Method
4. Efficient projector expansion for the ab initio LCAO method
5. Multiscale modelling of defect kinetics in irradiated iron
6. Density functional theory: Its origins, rise to prominence, and future
7. AFLOW: An automatic framework for high-throughput materials discovery
8. An object-oriented scripting interface to a legacy electronic structure code (Comput. Sci. Eng.)
9. Density-functional exchange-energy approximation with correct asymptotic behavior.
10. Self-Consistent Equations Including Exchange and Correlation Effects

Their papers

• Reproducibility in density functional theory calculations of solids (2016) — 1,430 citations
• Accurate band gaps of semiconductors and insulators with a semilocal exchange-correlation potential. (2009) — 4,643 citations
• Band gap calculations with Becke–Johnson exchange potential (2007) — 336 citations
• Solid state calculations using WIEN2k (2003) — 1,055 citations
• WIEN2k: An APW+lo program for calculating the properties of solids. (2020) — 2,259 citations
• Electronic structure and transport in type-I and type-VIII clathrates containing strontium, barium, and europium (2003) — 223 citations
• Efficient linearization of the augmented plane-wave method (2001) — 916 citations
• WIEN2k: An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties (2019) — 3,649 citations
• Improving the modified Becke-Johnson exchange potential (2012) — 672 citations
• Implementation of screened hybrid functionals based on the Yukawa potential within the LAPW basis set (2011) — 163 citations
• Merits and limits of the modified Becke-Johnson exchange potential (2011) — 864 citations
• Towards efficient band structure and effective mass calculations for III-V direct band-gap semiconductors (2010) — 252 citations
• Calculation of the lattice constant of solids with semilocal functionals (2009) — 777 citations
• Bonding of hexagonal BN to transition metal surfaces: An ab initio density-functional theory study (2008) — 137 citations
• Performance on molecules, surfaces, and solids of the Wu-Cohen GGA exchange-correlation energy functional (2007) — 313 citations
• Hybrid exchange-correlation energy functionals for strongly correlated electrons: Applications to transition-metal monoxides (2006) — 292 citations
• Density functional theory investigation of the geometric and spintronic structure of h-BN/Ni(111) in view of photoemission and STM experiments (2003) — 165 citations
• Electronic structure calculations of solids using the WIEN2k package for material sciences (2002) — 1,585 citations
• Spin-orbit splitting of the L -gap surface state on Au(111) and Ag(111) (2001) — 195 citations
• Electronic structure of fcc Th: Spin-orbit calculation with 6 p 1'2 local orbital extension (2001) — 206 citations