Peter Blaha - researchr alias

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Viewing Publication 1 - 10 from 10

2022

Dedication: Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th BirthdayPeter Blaha, Henry Chermette. computation, 10(5):78, 2022. [doi]

Length-Gauge Optical Matrix Elements in WIEN2kOleg Rubel, Peter Blaha. computation, 10(2):22, 2022. [doi]

ab initio characterization of Weyl semimetalsHimanshu Saini, Magdalena Laurien, Peter Blaha, Oleg Rubel. cphysics, 270:108147, 2022. [doi]

2021

Density Functional Theory Study of Metal and Metal-Oxide Nucleation and Growth on the Anatase TiO2(101) SurfaceLeila Kalantari, Fabien Tran, Peter Blaha. computation, 9(11):125, 2021. [doi]

ab initio effective mass calculationsOleg Rubel, Fabien Tran, Xavier Rocquefelte, Peter Blaha. cphysics, 261:107648, 2021. [doi]

2017

On the importance of local orbitals using second energy derivatives for d and f electronsFerenc Karsai, Fabien Tran, Peter Blaha. cphysics, 220:230-238, 2017. [doi]

2016

woptic: Optical conductivity with Wannier functions and adaptive k-mesh refinementElias Assmann, Philipp Wissgott, Jan Kunes, Alessandro Toschi, Peter Blaha, Karsten Held. cphysics, 202:1-11, 2016. [doi]

Evaluating eigensolver schemes within the density functional theory package WIEN2kThomas Ruh, Peter Blaha. ieeehpcs 2016: 973-978 [doi]

2010

Iterative diagonalization in augmented plane wave based methods in electronic structure calculationsPeter Blaha, H. Hofstätter, O. Koch, R. Laskowski, K. Schwarz. jcphy, 229(2):453-460, 2010. [doi]

2008

Force calculation for orbital-dependent potentials with FP-(L)APW + lo basis setsFabien Tran, Jan Kunes, Pavel NovÃ¡k, Peter Blaha, Laurence D. Marks, Karlheinz Schwarz. cphysics, 179(11):784-790, 2008. [doi]

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