JuLib | Articles & more - {"Quanten-Theorie der Materialien; PGI-1"}

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

Gerhorst, Christian-Roman
2022

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

4

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

Gerhorst, Christian-Roman
2019

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

5

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

Gerhorst, Christian-Roman
2018

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

6

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

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”
OpenAccess OpenAccess

7

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

Gerhorst, Christian-Roman
2017

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

8

Cohesive properties from all-electron RPA total energies

Betzinger, Markus
2016

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

9

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

Nusspickel, Max
2016

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

10

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

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”
OpenAccess OpenAccess

11

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

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”
OpenAccess OpenAccess

12

Refined forces within the FLAPW method: Drift forces and FD phonon spectra

Klüppelberg, Daniel Aaron
2015

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

13

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

Betzinger, Markus
2015

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

14

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

Betzinger, Markus
2015

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

15

All-electron RPA total energies with infinite band summations

Betzinger, Markus
2015

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

16

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

Tran, Fabien
2015

2015

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”

17

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

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”
OpenAccess OpenAccess

18

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

“...Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien...”
OpenAccess

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