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Calculating Phonons within the FLAPW Method using Density Functional Perturbation Theory (DFPT)

Gerhorst, Christian-Roman
2022

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All-electron FLAPW Realization of DFPT: 2nd-order Quantities and Dynamical Matrix

Gerhorst, Christian-Roman
2019

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Density Response to a Phonon Perturbation from DFPT Using the All-Electron FLAPW Method

Gerhorst, Christian-Roman
2018

5

Renormalization of effective interactions in a negative charge transfer insulator

Seth, Priyanka
2017

Physical Review B Physical review / B, 96 96 (2017 2017) 20 20, S. 205139 205139

OpenAccess OpenAccess

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DFPT within the All-Electron FLAPW Method: Application to Phonons

Gerhorst, Christian-Roman
2017

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Band gaps, ionization potentials, and electron affinities of periodic electron systems via the adiabatic-connection fluctuation-dissipation theorem

Trushin, Egor
2016

Physical Review B Physical review / B, 94 94 (2016 2016) 7 7, S. 075123 075123

OpenAccess OpenAccess

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Cohesive properties from all-electron RPA total energies

Betzinger, Markus
2016

9

Application of the exact exchange functional to magnetic metals within the FLAPW method

Nusspickel, Max
2016

10

Precise all-electron dynamical response functions: Application to COHSEX and the RPA correlation energy

Betzinger, Markus
2015

Physical Review B Physical review / B, 92 92 (2015 2015) 24 24, S. 245101 245101

OpenAccess OpenAccess

11

Comparison between exact and semilocal exchange potentials: An all-electron study for solids

Tran, Fabien
2015

Physical Review B Physical review / B, 91 91 (2015 2015) 16 16, S. 165121 165121

OpenAccess OpenAccess

12

Atomic force calculations within the all-electron FLAPW method: Treatment of core states and discontinuities at the muffin-tin sphere boundary

Klüppelberg, Daniel A.
2015

Physical Review B Physical review / B, 91 91 (2015 2015) 3 3, S. 035105 035105

OpenAccess

13

Comparison between exact and semilocal exchange potentials: An all-electron study for solids

Tran, Fabien
2015

2015

14

Precise dynamical response functions in all-electron methods: application to the RPA correlation energy

Betzinger, Markus
2015

2015

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Elimination of the linearization error and improved basis-set convergence within the FLAPW method

Michalicek, Gregor
2013

Computer physics communications, 184 (2013) 12, S. 2670 - 2679

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Hybrid functionals and GW approximation in the FLAPW method

Friedrich, C.
2012

Journal of physics / Condensed matter, 24 (2012) S. 293201

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Contribution to a book
Contribution to a conference proceedings

Finite-basis correction applied to the optimized effective potential within the FLAPW method

Friedrich, C.
2011

18

Hybrid functionals and GW approximation in the FLAPW method

Friedrich, C.
2011

19

Finite-basis correction applied to the optimized effective potential within the FLAPW method

Friedrich, C.
2011

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