skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Nonuniform sampling schemes of the Brillouin zone for many-electron perturbation-theory calculations in reduced dimensionality

Authors:
; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1338103
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 95 Journal Issue: 3; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

da Jornada, Felipe H., Qiu, Diana Y., and Louie, Steven G. Nonuniform sampling schemes of the Brillouin zone for many-electron perturbation-theory calculations in reduced dimensionality. United States: N. p., 2017. Web. doi:10.1103/PhysRevB.95.035109.
da Jornada, Felipe H., Qiu, Diana Y., & Louie, Steven G. Nonuniform sampling schemes of the Brillouin zone for many-electron perturbation-theory calculations in reduced dimensionality. United States. doi:10.1103/PhysRevB.95.035109.
da Jornada, Felipe H., Qiu, Diana Y., and Louie, Steven G. Tue . "Nonuniform sampling schemes of the Brillouin zone for many-electron perturbation-theory calculations in reduced dimensionality". United States. doi:10.1103/PhysRevB.95.035109.
@article{osti_1338103,
title = {Nonuniform sampling schemes of the Brillouin zone for many-electron perturbation-theory calculations in reduced dimensionality},
author = {da Jornada, Felipe H. and Qiu, Diana Y. and Louie, Steven G.},
abstractNote = {},
doi = {10.1103/PhysRevB.95.035109},
journal = {Physical Review B},
number = 3,
volume = 95,
place = {United States},
year = {2017},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1103/PhysRevB.95.035109

Citation Metrics:
Cited by: 16 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Cohesive Properties and Asymptotics of the Dispersion Interaction in Graphite by the Random Phase Approximation
journal, November 2010


Screening and many-body effects in two-dimensional crystals: Monolayer MoS 2
journal, June 2016


Ab initio Calculation of van der Waals Bonded Molecular Crystals
journal, May 2009


Erratum: Optical Spectrum of MoS 2 : Many-Body Effects and Diversity of Exciton States [Phys. Rev. Lett. 111 , 216805 (2013)]
journal, September 2015


First-Principles Description of Correlation Effects in Layered Materials
journal, April 2006


BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures
journal, June 2012

  • Deslippe, Jack; Samsonidze, Georgy; Strubbe, David A.
  • Computer Physics Communications, Vol. 183, Issue 6
  • DOI: 10.1016/j.cpc.2011.12.006

Dielectric screening in two-dimensional insulators: Implications for excitonic and impurity states in graphane
journal, August 2011


Accurate density functionals:  Approaches using the adiabatic-connection fluctuation-dissipation theorem
journal, June 2002


VORO++ : A three-dimensional Voronoi cell library in C++
journal, December 2009

  • Rycroft, Chris H.
  • Chaos: An Interdisciplinary Journal of Nonlinear Science, Vol. 19, Issue 4
  • DOI: 10.1063/1.3215722

Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies
journal, October 1986


Adiabatic-Connection Fluctuation-Dissipation Density-Functional Theory Based on Range Separation
journal, March 2009


Optical Spectrum of MoS 2 : Many-Body Effects and Diversity of Exciton States
journal, November 2013


Truncation of periodic image interactions for confined systems
journal, June 2006


Electron-Hole Excitations in Semiconductors and Insulators
journal, September 1998


ABINIT: First-principles approach to material and nanosystem properties
journal, December 2009


Self-consistent Hartree-Fock and screened-exchange calculations in solids: Application to silicon
journal, September 1986


How dielectric screening in two-dimensional crystals affects the convergence of excited-state calculations: Monolayer MoS 2
journal, December 2013


Effect of spin-orbit interaction on the optical spectra of single-layer, double-layer, and bulk MoS 2
journal, July 2013

  • Molina-Sánchez, Alejandro; Sangalli, Davide; Hummer, Kerstin
  • Physical Review B, Vol. 88, Issue 4
  • DOI: 10.1103/PhysRevB.88.045412

Exciton Binding Energy and Nonhydrogenic Rydberg Series in Monolayer WS 2
journal, August 2014


Real-space grid implementation of the projector augmented wave method
journal, January 2005


Electron-hole excitations and optical spectra from first principles
journal, August 2000


General treatment of the singularities in Hartree-Fock and exact-exchange Kohn-Sham methods for solids
journal, May 2007


yambo: An ab initio tool for excited state calculations
journal, August 2009

  • Marini, Andrea; Hogan, Conor; Grüning, Myrta
  • Computer Physics Communications, Vol. 180, Issue 8
  • DOI: 10.1016/j.cpc.2009.02.003

Efficient many-body calculations for two-dimensional materials using exact limits for the screened potential: Band gaps of MoS 2 ,   h -BN, and phosphorene
journal, October 2016


Application of the Green’s functions method to the study of the optical properties of semiconductors
journal, December 1988