7 research outputs found
Density-functional embedding using a plane-wave basis
- Author
- A. Lembarki
- A.E. DePristo
- A.J. Fisher
- A.J. Thakkar
- C. Herring
- D. M. Bird
- D.J. Lacks
- E. Chacón
- E. Hernández
- E. Smargiassi
- E.V. Ludena
- E.W. Pearson
- F. Perrot
- G. Zumbach
- G.P. Kerker
- H. Lee
- H. Ou-Yang
- J. R. Trail
- J.A. Anata
- J.A. White
- J.E. Inglesfield
- J.P. Perdew
- J.P. Perdew
- J.P. Perdew
- L. Goodwin
- L. Vitos
- L.J. Bartolotti
- L.W. Wang
- M.C. Payne
- N. Govind
- P. Cortona
- P. García-González
- P. Ordejon
- R. G. Parr
- R. M. Dreizler
- R.O. Jones
- S. Baroni
- S. Goedecker
- S. Goedecker
- S. Liu
- S. Watson
- T.A. Wesolowski
- T.A. Wesolowski
- T.A. Wesolowski
- T.A. Wesolowski
- T.L. Gilbert
- U. Gutdeutsch
- U. Gutdeutsch
- V. Shah
- W. Kohn
- W. Kohn
- W. Yang
- W. Yang
- Y.A. Wang
- Publication venue
- 'American Physical Society (APS)'
- Publication date
- 30/09/2009
- Field of study
The constrained electron density method of embedding a Kohn-Sham system in a
substrate system (first described by P. Cortona, Phys. Rev. B {\bf 44}, 8454
(1991) and T.A. Wesolowski and A. Warshel, J. Phys. Chem {\bf 97}, 8050 (1993))
is applied with a plane-wave basis and both local and non-local
pseudopotentials. This method divides the electron density of the system into
substrate and embedded electron densities, the sum of which is the electron
density of the system of interest. Coupling between the substrate and embedded
systems is achieved via approximate kinetic energy functionals. Bulk aluminium
is examined as a test case for which there is a strong interaction between the
substrate and embedded systems. A number of approximations to the
kinetic-energy functional, both semi-local and non-local, are investigated. It
is found that Kohn-Sham results can be well reproduced using a non-local
kinetic energy functional, with the total energy accurate to better than 0.1 eV
per atom and good agreement between the electron densities.Comment: 11 pages, 4 figure
GW190814: gravitational waves from the coalescence of a 23 solar mass black hole with a 2.6 solar mass compact object
- Author
- Abbott R.
- Abbott T.D.
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- Acernese F.
- Ackley K.
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- Aguiar O.D.
- Aich A.
- Aiello L.
- Ain A.
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- Field of study
We report the observation of a compact binary coalescence involving a 22.2–24.3 Me black hole and a compact object with a mass of 2.50–2.67 Me (all measurements quoted at the 90% credible level). The gravitational-wave signal, GW190814, was observed during LIGO’s and Virgo’s third observing run on 2019 August 14 at 21:10:39 UTC and has a signal-to-noise ratio of 25 in the three-detector network. The source was localized to 18.5 deg2 at a distance of - + 241 45
41 Mpc; no electromagnetic counterpart has been confirmed to date. The source has the most unequal mass ratio yet measured with gravitational waves, - + 0.112 0.009 0.008, and its secondary component is either the lightest black hole or the heaviest neutron star ever discovered in a double compact-object system. The
dimensionless spin of the primary black hole is tightly constrained to �0.07. Tests of general relativity reveal no measurable deviations from the theory, and its prediction of higher-multipole emission is confirmed at high confidence. We estimate a merger rate density of 1–23 Gpc−3 yr−1 for the new class of binary coalescence sources
that GW190814 represents. Astrophysical models predict that binaries with mass ratios similar to this event can form through several channels, but are unlikely to have formed in globular clusters. However, the combination of mass ratio, component masses, and the inferred merger rate for this event challenges all current models of the formation and mass distribution of compact-object binaries
Echocardiographic features of impaired ventricular function in diabetes mellitus.
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- Publication venue
- 'BMJ'
- Publication date
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Advisory Committees To Four-Year Hospitality Education Programs: What Should They Be Doing for Your Program?
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- U. S. Department of Health Education, and Welfare
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- 'SAGE Publications'
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- Field of study
Investigating Factors Affecting Brand Awareness of Virtual Advertising
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- Brand Strategy
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Understanding the Monoclonal Antibody Involvement in Targeting the Activation of Tumor Suppressor Genes
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- 'Bentham Science Publishers Ltd.'
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The Emergence of Life
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- A. Biscans
- A. de la Escosura
- A. Eschenmoser
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- A. Hofmann
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- A.S. Petrov
- A.T. Johnson
- A.V. Dass
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- B. Boussau
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- M.D. Brasier
- M.D. Schulte
- M.G. Green
- M.J. Janicki
- M.J. Poston
- M.J. Russell
- M.J. Russell
- M.J. Russell
- M.J. Russell
- M.J. Russell
- M.J. Russell
- M.J. Russell
- M.J. Russell
- M.J. Russell
- M.J. Russell
- M.J. Van Kranendonk
- M.L. Cable
- M.L. Wong
- M.M. Hirschmann
- M.M. Yusupov
- M.P. Robertson
- M.R. Tirumalai
- M.R. Tirumalai
- M.S. Bray
- M.S. Longuet-Higgins
- M.W. Powner
- M.W. Powner
- M.W. Powner
- M.Y. El-Naggar
- M.Y. Palmer
- N. Ban
- N. Guttenberg
- N. Khawaja
- N. Lahav
- N. Lane
- N.A. Leal
- N.E.B. Zellner
- N.H. Sleep
- N.H. Sleep
- N.H. Sleep
- N.J. Tosca
- N.R. Pace
- N.R. Pace
- N.T. Arndt
- N.T. Arndt
- N.V. Hud
- O. Abramov
- O. Abramov
- O. Taran
- P. Boehnke
- P. Decker
- P. Ehrenfreund
- P. Forterre
- P. Gholizadeh
- P. Lopez-Garcia
- P. Mitchell
- P. Nissen
- P. Puigbò
- P. Puigbò
- P. Schwille
- P. van der Gulik
- P.C. Joshi
- P.E. Nielsen
- P.G. Falkowski
- P.G. Higgs
- P.G. Higgs
- P.H. Abelson
- P.H. Warren
- P.R. Wills
- P.S. Adam
- R. Dasgupta
- R. Gesteland
- R. Larralde
- R. Lill
- R. Pascal
- R. Saladino
- R. Saladino
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- R. Saladino
- R. Tartèse
- R. Woods
- R. Wordsworth
- R.-S. Taubner
- R.-S. Taubner
- R.A. Sanchez
- R.A. Sanchez
- R.A. Sanchez
- R.B. Harvey
- R.C. Lee
- R.D. Astumian
- R.E. Mielke
- R.E. Monro
- R.F. Say
- R.H. Whittaker
- R.L. Charlebois
- R.L. Gonzalez Jr.
- R.M. Hazen
- R.M. Hazen
- R.S. Martin
- S. Arsène
- S. Bengtson
- S. Bhowmik
- S. Braun
- S. Brock
- S. de Farias
- S. Duharcourt
- S. Fox
- S. Gribaldo
- S. Harrison
- S. Helmreich
- S. Islam
- S. Kurtovic
- S. Kurtovic
- S. Leduc
- S. Marchi
- S. Miyakawa
- S. Orla-Jensen
- S. Pestka
- S. Pino
- S. Pizzarello
- S. Rajamani
- S. Rajamani
- S.A. Benner
- S.A. Benner
- S.A. Benner
- S.A. Wilde
- S.D. King
- S.E. Heaps
- S.F. Bloomfield
- S.G. Tessalina
- S.H. van den Boorn
- S.I. Walker
- S.J. Gould
- S.J. Gould
- S.J. Gould
- S.J. Gould
- S.J. Mojzsis
- S.J. Varma
- S.K. Trumbo
- S.L. Miller
- S.S. Abby
- S.S. Athavale
- S.T. Fitz Gibbon
- T. Cavalier-Smith
- T. Dagan
- T. Dutta
- T. Nunoura
- T. Ray
- T.A. Williams
- T.A. Williams
- T.A. Williams
- T.D. Ames
- T.F. Smith
- T.M. Harrison
- T.M. McCollom
- T.R. Cech
- T.R. Cech
- T.R. Cech
- T.R. Cech
- T.R. Cech
- T.Y. Tsong
- T.Z. Jia
- U. Nagaswamy
- U.S. Clanton
- V. Ramakrishnan
- V. Sautter
- V. Sojo
- V.K. Misra
- V.M. Goldschmidt
- V.N. Sagi
- V.N. Zharkov
- W. Filipowicz
- W. Gilbert
- W. Huang
- W. Ma
- W. Ma
- W. Nijman
- W. Nijman
- W. Nitschke
- W.B. Moore
- W.D. Fuller
- W.D. Fuller
- W.F. Bottke
- W.F. Doolittle
- W.F. Martin
- W.F. Martin
- W.F. Martin
- W.F. Martin
- W.G. Meinschein
- W.R. Taylor
- W.T. Liu
- X. Li
- Y. Dandonneau
- Y. Ding
- Y. Koga
- Y.I. Wolf
- Y.L. Yung
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study