4.3 Article

Quasiparticle Self-Consistent GW Method Based on the Augmented Plane-Wave and Muffin-Tin Orbital Method

Related references

Note: Only part of the references are listed.
Article Physics, Multidisciplinary

Linearized Augmented Plane-Wave and Muffin-Tin Orbital Method with the PBE Exchange-Correlation: Applied to Molecules from H2 through Kr2

Takao Kotani et al.

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN (2013)

Article Materials Science, Multidisciplinary

Self-consistent GW: All-electron implementation with localized basis functions

Fabio Caruso et al.

PHYSICAL REVIEW B (2013)

Article Materials Science, Multidisciplinary

Electronic band structure, phonons, and exciton binding energies of halide perovskites CsSnCl3, CsSnBr3, and CsSnI3

Ling-yi Huang et al.

PHYSICAL REVIEW B (2013)

Article Physics, Multidisciplinary

Strong Renormalization of the Electronic Band Gap due to Lattice Polarization in the GW Formalism

Silvana Botti et al.

PHYSICAL REVIEW LETTERS (2013)

Article Materials Science, Multidisciplinary

Hallmark of strong electronic correlations in LaNiO3: Photoemission kink and broadening of fully occupied bands

Xiaoyu Deng et al.

PHYSICAL REVIEW B (2012)

Article Materials Science, Multidisciplinary

Band convergence and linearization error correction of all-electron GW calculations: The extreme case of zinc oxide

Christoph Friedrich et al.

PHYSICAL REVIEW B (2011)

Article Materials Science, Multidisciplinary

Fusion of the LAPW and LMTO methods: The augmented plane wave plus muffin-tin orbital method

Takao Kotani et al.

PHYSICAL REVIEW B (2010)

Article Materials Science, Multidisciplinary

Electronic properties of 3R-CuAlO2 under pressure: Three theoretical approaches

N. E. Christensen et al.

PHYSICAL REVIEW B (2010)

Article Materials Science, Multidisciplinary

Impact ionization rates for Si, GaAs, InAs, ZnS, and GaN in the GW approximation

Takao Kotani et al.

PHYSICAL REVIEW B (2010)

Article Materials Science, Multidisciplinary

Fully self-consistent GW calculations for molecules

C. Rostgaard et al.

PHYSICAL REVIEW B (2010)

Article Materials Science, Multidisciplinary

Efficient implementation of the GW approximation within the all-electron FLAPW method

Christoph Friedrich et al.

PHYSICAL REVIEW B (2010)

Article Physics, Condensed Matter

Re-examination of half-metallic ferromagnetism for doped LaMnO3 in a quasiparticle self-consistent GW method

Takao Kotani et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2009)

Article Materials Science, Multidisciplinary

Maximally localized Wannier functions for GW quasiparticles

D. R. Hamann et al.

PHYSICAL REVIEW B (2009)

Article Physics, Multidisciplinary

GW Approximation of the Many-Body Problem and Changes in the Particle Number

Fabien Bruneval

PHYSICAL REVIEW LETTERS (2009)

Article Physics, Multidisciplinary

Band offsets at the Si/SiO2 interface from many-body perturbation theory

R. Shaltaf et al.

PHYSICAL REVIEW LETTERS (2008)

Editorial Material Multidisciplinary Sciences

Insights into current limitations of density functional theory

Aron J. Cohen et al.

SCIENCE (2008)

Article Physics, Multidisciplinary

Accurate quasiparticle spectra from self-consistent GW calculations with vertex corrections

M. Shishkin et al.

PHYSICAL REVIEW LETTERS (2007)

Article Materials Science, Multidisciplinary

Electronic and crystal structure of Cu2-xS:: Full-potential electronic structure calculations

Pavel Lukashev et al.

PHYSICAL REVIEW B (2007)

Article Materials Science, Multidisciplinary

Quasiparticle self-consistent GW method:: A basis for the independent-particle approximation

Takao Kotani et al.

PHYSICAL REVIEW B (2007)

Article Computer Science, Interdisciplinary Applications

Dielectric anisotropy in the GW space-time method

Christoph Freysoldt et al.

COMPUTER PHYSICS COMMUNICATIONS (2007)

Article Materials Science, Multidisciplinary

Adequacy of approximations in GW theory

Mark van Schilfgaarde et al.

PHYSICAL REVIEW B (2006)

Article Physics, Multidisciplinary

Fully self-consistent GW calculations for atoms and molecules

A. Stan et al.

EUROPHYSICS LETTERS (2006)

Article Physics, Multidisciplinary

Quasiparticle self-consistent GW theory

M. van Schilfgaarde et al.

PHYSICAL REVIEW LETTERS (2006)

Article Physics, Multidisciplinary

Ab initio prediction of conduction band spin splitting in zinc blende semiconductors

AN Chantis et al.

PHYSICAL REVIEW LETTERS (2006)

Article Physics, Multidisciplinary

All-electron self-consistent GW approximation:: Application to Si, MnO, and NiO -: art. no. 126406

SV Faleev et al.

PHYSICAL REVIEW LETTERS (2004)

Article Physics, Multidisciplinary

Band-gap problem in semiconductors revisited: Effects of core states and many-body self-consistency

W Ku et al.

PHYSICAL REVIEW LETTERS (2002)

Article Physics, Condensed Matter

All-electron GW approximation with the mixed basis expansion based on the full-potential LMTO method

T Kotani et al.

SOLID STATE COMMUNICATIONS (2002)

Article Materials Science, Multidisciplinary

Local-field and excitonic effects in the calculated optical properties of semiconductors from first-principles

B Arnaud et al.

PHYSICAL REVIEW B (2001)

Article Physics, Condensed Matter

An alternative way of linearizing the augmented plane-wave method

E Sjostedt et al.

SOLID STATE COMMUNICATIONS (2000)