---
_id: '18617'
abstract:
- lang: eng
text: The decay properties of the one-particle Green function in real space and
imaginary time are systematically studied for solids. I present an analytic solution
for the homogeneous electron gas at finite and at zero temperature as well as
asymptotic formulas for real metals and insulators that allow an analytic treatment
in electronic-structure calculations based on a space-time representation. The
generic dependence of the decay constants on known system parameters is used to
compare the scaling of reciprocal-space algorithms for the GW approximation and
the space-time method.
article_type: original
author:
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
citation:
ama: Schindlmayr A. Decay properties of the one-particle Green function in real
space and imaginary time. Physical Review B. 2000;62(19):12573-12576. doi:10.1103/PhysRevB.62.12573
apa: Schindlmayr, A. (2000). Decay properties of the one-particle Green function
in real space and imaginary time. Physical Review B, 62(19), 12573–12576.
https://doi.org/10.1103/PhysRevB.62.12573
bibtex: '@article{Schindlmayr_2000, title={Decay properties of the one-particle
Green function in real space and imaginary time}, volume={62}, DOI={10.1103/PhysRevB.62.12573},
number={19}, journal={Physical Review B}, publisher={American Physical Society},
author={Schindlmayr, Arno}, year={2000}, pages={12573–12576} }'
chicago: 'Schindlmayr, Arno. “Decay Properties of the One-Particle Green Function
in Real Space and Imaginary Time.” Physical Review B 62, no. 19 (2000):
12573–76. https://doi.org/10.1103/PhysRevB.62.12573.'
ieee: 'A. Schindlmayr, “Decay properties of the one-particle Green function in real
space and imaginary time,” Physical Review B, vol. 62, no. 19, pp. 12573–12576,
2000, doi: 10.1103/PhysRevB.62.12573.'
mla: Schindlmayr, Arno. “Decay Properties of the One-Particle Green Function in
Real Space and Imaginary Time.” Physical Review B, vol. 62, no. 19, American
Physical Society, 2000, pp. 12573–76, doi:10.1103/PhysRevB.62.12573.
short: A. Schindlmayr, Physical Review B 62 (2000) 12573–12576.
date_created: 2020-08-28T21:40:36Z
date_updated: 2022-11-11T06:55:58Z
ddc:
- '530'
doi: 10.1103/PhysRevB.62.12573
extern: '1'
external_id:
arxiv:
- cond-mat/0008399
isi:
- '000165369700003'
file:
- access_level: open_access
content_type: application/pdf
creator: schindlm
date_created: 2020-08-28T21:42:25Z
date_updated: 2020-08-30T16:16:43Z
description: © 2000 American Physical Society
file_id: '18618'
file_name: PhysRevB.62.12573.pdf
file_size: 50820
relation: main_file
title: Decay properties of the one-particle Green function in real space and imaginary
time
file_date_updated: 2020-08-30T16:16:43Z
has_accepted_license: '1'
intvolume: ' 62'
isi: '1'
issue: '19'
language:
- iso: eng
oa: '1'
page: 12573-12576
publication: Physical Review B
publication_identifier:
eissn:
- 1095-3795
issn:
- 0163-1829
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
status: public
title: Decay properties of the one-particle Green function in real space and imaginary
time
type: journal_article
user_id: '458'
volume: 62
year: '2000'
...
---
_id: '18619'
article_type: letter_note
author:
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
citation:
ama: Schindlmayr A. Universality of the Hohenberg–Kohn functional. American Journal
of Physics. 1999;67(10):933-934. doi:10.1119/1.19156
apa: Schindlmayr, A. (1999). Universality of the Hohenberg–Kohn functional. American
Journal of Physics, 67(10), 933–934. https://doi.org/10.1119/1.19156
bibtex: '@article{Schindlmayr_1999, title={Universality of the Hohenberg–Kohn functional},
volume={67}, DOI={10.1119/1.19156},
number={10}, journal={American Journal of Physics}, publisher={American Institute
of Physics}, author={Schindlmayr, Arno}, year={1999}, pages={933–934} }'
chicago: 'Schindlmayr, Arno. “Universality of the Hohenberg–Kohn Functional.” American
Journal of Physics 67, no. 10 (1999): 933–34. https://doi.org/10.1119/1.19156.'
ieee: 'A. Schindlmayr, “Universality of the Hohenberg–Kohn functional,” American
Journal of Physics, vol. 67, no. 10, pp. 933–934, 1999, doi: 10.1119/1.19156.'
mla: Schindlmayr, Arno. “Universality of the Hohenberg–Kohn Functional.” American
Journal of Physics, vol. 67, no. 10, American Institute of Physics, 1999,
pp. 933–34, doi:10.1119/1.19156.
short: A. Schindlmayr, American Journal of Physics 67 (1999) 933–934.
date_created: 2020-08-28T21:44:58Z
date_updated: 2022-11-11T06:56:43Z
doi: 10.1119/1.19156
extern: '1'
external_id:
arxiv:
- physics/9903021
isi:
- '000082980100020'
intvolume: ' 67'
isi: '1'
issue: '10'
language:
- iso: eng
page: 933-934
publication: American Journal of Physics
publication_identifier:
eissn:
- 1943-2909
issn:
- 0002-9505
publication_status: published
publisher: American Institute of Physics
quality_controlled: '1'
status: public
title: Universality of the Hohenberg–Kohn functional
type: journal_article
user_id: '458'
volume: 67
year: '1999'
...
---
_id: '18620'
abstract:
- lang: eng
text: With the aim of identifying universal trends, we compare fully self-consistent
electronic spectra and total energies obtained from the GW approximation with
those from an extended GWΓ scheme that includes a nontrivial vertex function and
the fundamentally distinct Bethe-Goldstone approach based on the T matrix. The
self-consistent Green’s function G, as derived from Dyson’s equation, is used
not only in the self-energy but also to construct the screened interaction W for
a model system. For all approximations we observe a similar deterioration of the
spectrum, which is not removed by vertex corrections. In particular, satellite
peaks are systematically broadened and move closer to the chemical potential.
The corresponding total energies are universally raised, independent of the system
parameters. Our results, therefore, suggest that any improvement in total energy
due to self-consistency, such as for the electron gas in the GW approximation,
may be fortuitous.
article_type: original
author:
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
- first_name: Thomas Joachim
full_name: Pollehn, Thomas Joachim
last_name: Pollehn
- first_name: Rex William
full_name: Godby, Rex William
last_name: Godby
citation:
ama: Schindlmayr A, Pollehn TJ, Godby RW. Spectra and total energies from self-consistent
many-body perturbation theory. Physical Review B. 1998;58(19):12684-12690.
doi:10.1103/PhysRevB.58.12684
apa: Schindlmayr, A., Pollehn, T. J., & Godby, R. W. (1998). Spectra and total
energies from self-consistent many-body perturbation theory. Physical Review
B, 58(19), 12684–12690. https://doi.org/10.1103/PhysRevB.58.12684
bibtex: '@article{Schindlmayr_Pollehn_Godby_1998, title={Spectra and total energies
from self-consistent many-body perturbation theory}, volume={58}, DOI={10.1103/PhysRevB.58.12684},
number={19}, journal={Physical Review B}, publisher={American Physical Society},
author={Schindlmayr, Arno and Pollehn, Thomas Joachim and Godby, Rex William},
year={1998}, pages={12684–12690} }'
chicago: 'Schindlmayr, Arno, Thomas Joachim Pollehn, and Rex William Godby. “Spectra
and Total Energies from Self-Consistent Many-Body Perturbation Theory.” Physical
Review B 58, no. 19 (1998): 12684–90. https://doi.org/10.1103/PhysRevB.58.12684.'
ieee: 'A. Schindlmayr, T. J. Pollehn, and R. W. Godby, “Spectra and total energies
from self-consistent many-body perturbation theory,” Physical Review B,
vol. 58, no. 19, pp. 12684–12690, 1998, doi: 10.1103/PhysRevB.58.12684.'
mla: Schindlmayr, Arno, et al. “Spectra and Total Energies from Self-Consistent
Many-Body Perturbation Theory.” Physical Review B, vol. 58, no. 19, American
Physical Society, 1998, pp. 12684–90, doi:10.1103/PhysRevB.58.12684.
short: A. Schindlmayr, T.J. Pollehn, R.W. Godby, Physical Review B 58 (1998) 12684–12690.
date_created: 2020-08-28T21:52:29Z
date_updated: 2022-11-11T06:57:30Z
ddc:
- '530'
doi: 10.1103/PhysRevB.58.12684
extern: '1'
external_id:
arxiv:
- cond-mat/9806121
isi:
- '000077295500041'
file:
- access_level: open_access
content_type: application/pdf
creator: schindlm
date_created: 2020-08-28T21:53:40Z
date_updated: 2020-08-30T16:21:26Z
description: © 1998 American Physical Society
file_id: '18621'
file_name: PhysRevB.58.12684.pdf
file_size: 151644
relation: main_file
title: Spectra and total energies from self-consistent many-body perturbation theory
file_date_updated: 2020-08-30T16:21:26Z
has_accepted_license: '1'
intvolume: ' 58'
isi: '1'
issue: '19'
language:
- iso: eng
oa: '1'
page: 12684-12690
publication: Physical Review B
publication_identifier:
eissn:
- 1095-3795
issn:
- 0163-1829
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
status: public
title: Spectra and total energies from self-consistent many-body perturbation theory
type: journal_article
user_id: '458'
volume: 58
year: '1998'
...
---
_id: '18622'
abstract:
- lang: eng
text: We present a general procedure for obtaining progressively more accurate functional
expressions for the electron self-energy by iterative solution of Hedin's coupled
equations. The iterative process starting from Hartree theory, which gives rise
to the GW approximation, is continued further, and an explicit formula for the
vertex function from the second full cycle is given. Calculated excitation energies
for a Hubbard Hamiltonian demonstrate the convergence of the iterative process
and provide further strong justification for the GW approximation.
article_type: original
author:
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
- first_name: Rex William
full_name: Godby, Rex William
last_name: Godby
citation:
ama: Schindlmayr A, Godby RW. Systematic vertex corrections through iterative solution
of Hedin’s equations beyond the GW approximation. Physical Review Letters.
1998;80(8):1702-1705. doi:10.1103/PhysRevLett.80.1702
apa: Schindlmayr, A., & Godby, R. W. (1998). Systematic vertex corrections through
iterative solution of Hedin’s equations beyond the GW approximation. Physical
Review Letters, 80(8), 1702–1705. https://doi.org/10.1103/PhysRevLett.80.1702
bibtex: '@article{Schindlmayr_Godby_1998, title={Systematic vertex corrections through
iterative solution of Hedin’s equations beyond the GW approximation}, volume={80},
DOI={10.1103/PhysRevLett.80.1702},
number={8}, journal={Physical Review Letters}, publisher={American Physical Society},
author={Schindlmayr, Arno and Godby, Rex William}, year={1998}, pages={1702–1705}
}'
chicago: 'Schindlmayr, Arno, and Rex William Godby. “Systematic Vertex Corrections
through Iterative Solution of Hedin’s Equations beyond the GW Approximation.”
Physical Review Letters 80, no. 8 (1998): 1702–5. https://doi.org/10.1103/PhysRevLett.80.1702.'
ieee: 'A. Schindlmayr and R. W. Godby, “Systematic vertex corrections through iterative
solution of Hedin’s equations beyond the GW approximation,” Physical Review
Letters, vol. 80, no. 8, pp. 1702–1705, 1998, doi: 10.1103/PhysRevLett.80.1702.'
mla: Schindlmayr, Arno, and Rex William Godby. “Systematic Vertex Corrections through
Iterative Solution of Hedin’s Equations beyond the GW Approximation.” Physical
Review Letters, vol. 80, no. 8, American Physical Society, 1998, pp. 1702–05,
doi:10.1103/PhysRevLett.80.1702.
short: A. Schindlmayr, R.W. Godby, Physical Review Letters 80 (1998) 1702–1705.
date_created: 2020-08-28T21:55:15Z
date_updated: 2022-11-11T06:59:10Z
ddc:
- '530'
doi: 10.1103/PhysRevLett.80.1702
extern: '1'
external_id:
arxiv:
- cond-mat/9710295
isi:
- '000072117600034'
file:
- access_level: open_access
content_type: application/pdf
creator: schindlm
date_created: 2020-08-28T21:56:56Z
date_updated: 2020-08-30T16:18:20Z
description: © 1998 American Physical Society
file_id: '18623'
file_name: PhysRevLett.80.1702.pdf
file_size: 138164
relation: main_file
title: Systematic vertex corrections through iterative solution of Hedin's equations
beyond the GW approximation
file_date_updated: 2020-08-30T16:18:20Z
has_accepted_license: '1'
intvolume: ' 80'
isi: '1'
issue: '8'
language:
- iso: eng
oa: '1'
page: 1702-1705
publication: Physical Review Letters
publication_identifier:
eissn:
- 1079-7114
issn:
- 0031-9007
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
status: public
title: Systematic vertex corrections through iterative solution of Hedin's equations
beyond the GW approximation
type: journal_article
user_id: '458'
volume: 80
year: '1998'
...
---
_id: '18624'
abstract:
- lang: eng
text: We investigate the performance of the GW approximation by comparison to exact
results for small model systems. The role of the chemical potentials in Dyson's
equation as well as the consequences of numerical resonance broadening are examined,
and we show how a proper treatment can improve computational implementations of
many-body perturbation theory in general. Exchange-only and GW calculations are
performed over a wide range of fractional band fillings and correlation strengths.
We thus identify the physical situations where these schemes are applicable.
article_type: original
author:
- first_name: Thomas Joachim
full_name: Pollehn, Thomas Joachim
last_name: Pollehn
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
- first_name: Rex William
full_name: Godby, Rex William
last_name: Godby
citation:
ama: 'Pollehn TJ, Schindlmayr A, Godby RW. Assessment of the GW approximation using
Hubbard chains. Journal of Physics: Condensed Matter. 1998;10(6):1273-1283.
doi:10.1088/0953-8984/10/6/011'
apa: 'Pollehn, T. J., Schindlmayr, A., & Godby, R. W. (1998). Assessment of
the GW approximation using Hubbard chains. Journal of Physics: Condensed Matter,
10(6), 1273–1283. https://doi.org/10.1088/0953-8984/10/6/011'
bibtex: '@article{Pollehn_Schindlmayr_Godby_1998, title={Assessment of the GW approximation
using Hubbard chains}, volume={10}, DOI={10.1088/0953-8984/10/6/011},
number={6}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing},
author={Pollehn, Thomas Joachim and Schindlmayr, Arno and Godby, Rex William},
year={1998}, pages={1273–1283} }'
chicago: 'Pollehn, Thomas Joachim, Arno Schindlmayr, and Rex William Godby. “Assessment
of the GW Approximation Using Hubbard Chains.” Journal of Physics: Condensed
Matter 10, no. 6 (1998): 1273–83. https://doi.org/10.1088/0953-8984/10/6/011.'
ieee: 'T. J. Pollehn, A. Schindlmayr, and R. W. Godby, “Assessment of the GW approximation
using Hubbard chains,” Journal of Physics: Condensed Matter, vol. 10, no.
6, pp. 1273–1283, 1998, doi: 10.1088/0953-8984/10/6/011.'
mla: 'Pollehn, Thomas Joachim, et al. “Assessment of the GW Approximation Using
Hubbard Chains.” Journal of Physics: Condensed Matter, vol. 10, no. 6,
IOP Publishing, 1998, pp. 1273–83, doi:10.1088/0953-8984/10/6/011.'
short: 'T.J. Pollehn, A. Schindlmayr, R.W. Godby, Journal of Physics: Condensed
Matter 10 (1998) 1273–1283.'
date_created: 2020-08-28T21:58:46Z
date_updated: 2022-11-11T06:58:18Z
ddc:
- '530'
doi: 10.1088/0953-8984/10/6/011
extern: '1'
external_id:
arxiv:
- cond-mat/9711120
isi:
- '000072104000011'
file:
- access_level: closed
content_type: application/pdf
creator: schindlm
date_created: 2020-08-28T21:59:59Z
date_updated: 2020-08-30T16:19:49Z
description: © 1998 IOP Publishing Ltd
file_id: '18625'
file_name: Thomas_J_Pollehn_1998_J._Phys. _Condens._Matter_10_011.pdf
file_size: 226847
relation: main_file
title: Assessment of the GW approximation using Hubbard chains
file_date_updated: 2020-08-30T16:19:49Z
has_accepted_license: '1'
intvolume: ' 10'
isi: '1'
issue: '6'
language:
- iso: eng
page: 1273-1283
publication: 'Journal of Physics: Condensed Matter'
publication_identifier:
eissn:
- 1361-648X
issn:
- 0953-8984
publication_status: published
publisher: IOP Publishing
quality_controlled: '1'
status: public
title: Assessment of the GW approximation using Hubbard chains
type: journal_article
user_id: '458'
volume: 10
year: '1998'
...
---
_id: '18626'
abstract:
- lang: eng
text: We present a simple analytic scheme for calculating the binding energy of
excitons in semiconductors that takes full account of the existing anisotropy
in the effective mass, as a complement to the qualitative treatment in most textbooks.
Results obtained for excitons in gallium nitride form the basis for a discussion
of the accuracy of this approach.
- lang: ger
text: Wir präsentieren ein einfaches analytisches Verfahren zur Berechnung der Bindungsenergie
von Exzitonen in Halbleitern, das die vorhandene Anisotropie in der effektiven
Masse vollständig miteinbezieht, in Ergänzung zu der qualitativen Betrachtung
in den meisten Lehrbüchern. Ergebnisse für Exzitonen in Galliumnitrid bilden die
Grundlage für eine Diskussion der Genauigkeit dieser Methode.
article_type: original
author:
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
citation:
ama: Schindlmayr A. Excitons with anisotropic effective mass. European Journal
of Physics. 1997;18(5):374-376. doi:10.1088/0143-0807/18/5/011
apa: Schindlmayr, A. (1997). Excitons with anisotropic effective mass. European
Journal of Physics, 18(5), 374–376. https://doi.org/10.1088/0143-0807/18/5/011
bibtex: '@article{Schindlmayr_1997, title={Excitons with anisotropic effective mass},
volume={18}, DOI={10.1088/0143-0807/18/5/011},
number={5}, journal={European Journal of Physics}, publisher={IOP Publishing and
The European Physical Society}, author={Schindlmayr, Arno}, year={1997}, pages={374–376}
}'
chicago: 'Schindlmayr, Arno. “Excitons with Anisotropic Effective Mass.” European
Journal of Physics 18, no. 5 (1997): 374–76. https://doi.org/10.1088/0143-0807/18/5/011.'
ieee: 'A. Schindlmayr, “Excitons with anisotropic effective mass,” European Journal
of Physics, vol. 18, no. 5, pp. 374–376, 1997, doi: 10.1088/0143-0807/18/5/011.'
mla: Schindlmayr, Arno. “Excitons with Anisotropic Effective Mass.” European
Journal of Physics, vol. 18, no. 5, IOP Publishing and The European Physical
Society, 1997, pp. 374–76, doi:10.1088/0143-0807/18/5/011.
short: A. Schindlmayr, European Journal of Physics 18 (1997) 374–376.
date_created: 2020-08-28T22:03:49Z
date_updated: 2022-11-11T07:00:05Z
ddc:
- '530'
doi: 10.1088/0143-0807/18/5/011
extern: '1'
external_id:
arxiv:
- physics/9709036
file:
- access_level: closed
content_type: application/pdf
creator: schindlm
date_created: 2020-08-28T22:05:27Z
date_updated: 2020-08-30T16:24:01Z
description: © 1997 IOP Publishing Ltd and The European Physical Society
file_id: '18627'
file_name: Arno_Schindlmayr_1997_Eur._J._Phys._18_011.pdf
file_size: 145493
relation: main_file
title: Excitons with anisotropic effective mass
file_date_updated: 2020-08-30T16:24:01Z
has_accepted_license: '1'
intvolume: ' 18'
issue: '5'
language:
- iso: eng
page: 374-376
publication: European Journal of Physics
publication_identifier:
eissn:
- 1361-6404
issn:
- 0143-0807
publication_status: published
publisher: IOP Publishing and The European Physical Society
quality_controlled: '1'
status: public
title: Excitons with anisotropic effective mass
type: journal_article
user_id: '458'
volume: 18
year: '1997'
...
---
_id: '18628'
abstract:
- lang: eng
text: We present a nontrivial model system of interacting electrons that can be
solved analytically in the GW approximation. We obtain the particle number from
the GW Green’s function strictly analytically, and prove that there is a genuine
violation of particle number conservation if the self-energy is calculated non-self-consistently
from a zeroth order Green’s function, as done in virtually all practical implementations.
We also show that a simple shift of the self-energy that partially restores self-consistency
reduces the numerical deviation significantly.
article_type: original
author:
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
citation:
ama: Schindlmayr A. Violation of particle number conservation in the GW approximation.
Physical Review B. 1997;56(7):3528-3531. doi:10.1103/PhysRevB.56.3528
apa: Schindlmayr, A. (1997). Violation of particle number conservation in the GW
approximation. Physical Review B, 56(7), 3528–3531. https://doi.org/10.1103/PhysRevB.56.3528
bibtex: '@article{Schindlmayr_1997, title={Violation of particle number conservation
in the GW approximation}, volume={56}, DOI={10.1103/PhysRevB.56.3528},
number={7}, journal={Physical Review B}, publisher={American Physical Society},
author={Schindlmayr, Arno}, year={1997}, pages={3528–3531} }'
chicago: 'Schindlmayr, Arno. “Violation of Particle Number Conservation in the GW
Approximation.” Physical Review B 56, no. 7 (1997): 3528–31. https://doi.org/10.1103/PhysRevB.56.3528.'
ieee: 'A. Schindlmayr, “Violation of particle number conservation in the GW approximation,”
Physical Review B, vol. 56, no. 7, pp. 3528–3531, 1997, doi: 10.1103/PhysRevB.56.3528.'
mla: Schindlmayr, Arno. “Violation of Particle Number Conservation in the GW Approximation.”
Physical Review B, vol. 56, no. 7, American Physical Society, 1997, pp.
3528–31, doi:10.1103/PhysRevB.56.3528.
short: A. Schindlmayr, Physical Review B 56 (1997) 3528–3531.
date_created: 2020-08-28T22:07:22Z
date_updated: 2022-11-11T07:00:49Z
ddc:
- '530'
doi: 10.1103/PhysRevB.56.3528
extern: '1'
external_id:
arxiv:
- cond-mat/9709275
isi:
- A1997XR96400004
file:
- access_level: open_access
content_type: application/pdf
creator: schindlm
date_created: 2020-08-28T22:08:35Z
date_updated: 2020-08-30T16:26:32Z
description: © 1997 American Physical Society
file_id: '18629'
file_name: PhysRevB.56.3528.pdf
file_size: 93337
relation: main_file
title: Violation of particle number conservation in the GW approximation
file_date_updated: 2020-08-30T16:26:32Z
has_accepted_license: '1'
intvolume: ' 56'
isi: '1'
issue: '7'
language:
- iso: eng
oa: '1'
page: 3528-3531
publication: Physical Review B
publication_identifier:
eissn:
- 1095-3795
issn:
- 0163-1829
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
status: public
title: Violation of particle number conservation in the GW approximation
type: journal_article
user_id: '458'
volume: 56
year: '1997'
...
---
_id: '18630'
abstract:
- lang: eng
text: Inspired by earlier work on the band-gap problem in insulators, we reexamine
the treatment of strongly correlated Hubbard-type models within density-functional
theory. In contrast to previous studies, the density is fully parametrized by
occupation numbers and overlap of orbitals centered at neighboring atomic sites,
as is the local potential by the hopping matrix. This corresponds to a good formal
agreement between density-functional theory in real space and second quantization.
It is shown that density-functional theory is formally applicable to such systems
and the theoretical framework is provided. The question of noninteracting v representability
is studied numerically for finite one-dimnsional clusters, for which exact results
are available, and qualitatively for infinite systems. This leads to the conclusion
that the electron density corresponding to interacting systems of the type studied
here is in fact not noninteracting v representable because the Kohn-Sham electrons
are unable to reproduce the correlation-induced localization correctly.
article_type: original
author:
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
- first_name: Rex William
full_name: Godby, Rex William
last_name: Godby
citation:
ama: Schindlmayr A, Godby RW. Density-functional theory and the v-representability
problem for model strongly correlated electron systems. Physical Review B.
1995;51(16):10427-10435. doi:10.1103/PhysRevB.51.10427
apa: Schindlmayr, A., & Godby, R. W. (1995). Density-functional theory and the
v-representability problem for model strongly correlated electron systems. Physical
Review B, 51(16), 10427–10435. https://doi.org/10.1103/PhysRevB.51.10427
bibtex: '@article{Schindlmayr_Godby_1995, title={Density-functional theory and the
v-representability problem for model strongly correlated electron systems}, volume={51},
DOI={10.1103/PhysRevB.51.10427},
number={16}, journal={Physical Review B}, publisher={American Physical Society},
author={Schindlmayr, Arno and Godby, Rex William}, year={1995}, pages={10427–10435}
}'
chicago: 'Schindlmayr, Arno, and Rex William Godby. “Density-Functional Theory and
the v-Representability Problem for Model Strongly Correlated Electron Systems.”
Physical Review B 51, no. 16 (1995): 10427–35. https://doi.org/10.1103/PhysRevB.51.10427.'
ieee: 'A. Schindlmayr and R. W. Godby, “Density-functional theory and the v-representability
problem for model strongly correlated electron systems,” Physical Review B,
vol. 51, no. 16, pp. 10427–10435, 1995, doi: 10.1103/PhysRevB.51.10427.'
mla: Schindlmayr, Arno, and Rex William Godby. “Density-Functional Theory and the
v-Representability Problem for Model Strongly Correlated Electron Systems.” Physical
Review B, vol. 51, no. 16, American Physical Society, 1995, pp. 10427–35,
doi:10.1103/PhysRevB.51.10427.
short: A. Schindlmayr, R.W. Godby, Physical Review B 51 (1995) 10427–10435.
date_created: 2020-08-28T22:09:57Z
date_updated: 2022-11-11T07:01:30Z
ddc:
- '530'
doi: 10.1103/PhysRevB.51.10427
extern: '1'
external_id:
arxiv:
- cond-mat/9709266
isi:
- A1995QW28400017
pmid:
- '9977737'
file:
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content_type: application/pdf
creator: schindlm
date_created: 2020-08-28T22:11:01Z
date_updated: 2020-08-30T16:27:22Z
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title: Density-functional theory and the v-representability problem for model strongly
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title: Density-functional theory and the v-representability problem for model strongly
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type: journal_article
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volume: 51
year: '1995'
...