Zobrazeno 1 - 8
of 8
pro vyhledávání: '"S V, Beiden"'
Publikováno v:
Journal of Physics: Condensed Matter. 12:8439-8454
The use of the relativistic and spin-polarized real-space Korringa-Kohn-Rostoker (KKR) method is limited to small systems (less than 100 atoms). This is due to the prohibitively large CPU times needed for the inversion of the KKR matrix. To study sys
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d5e74040b90d42ffbe49425355b706dd
https://doi.org/10.1088/0953-8984/12/39/307
https://doi.org/10.1088/0953-8984/12/39/307
Publikováno v:
Physical Review Letters. 79:3970-3973
In this Letter we present an {ital ab initio,} density functional theory, justification for the validity of Hund{close_quote}s type of rules in the solid state with localized electrons. We demonstrate that an orbital dependent functional, such as the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d2af7f343aee05b94008b154235fb990
https://doi.org/10.1103/physrevlett.79.3970
https://doi.org/10.1103/physrevlett.79.3970
Publikováno v:
Electronic Structure and Physical Properies of Solids ISBN: 9783540672388
The ab-initio self-interaction corrected (SIC) local-spin-density (LSD) approximation is elaborated upon, with emphasis on the ability to describe localization phenomena in solids. Two methods for minimizing the SIC-LSD total energy functional are co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::50f5a2a34488e4888f3945befc10e89d
https://doi.org/10.1007/3-540-46437-9_8
https://doi.org/10.1007/3-540-46437-9_8
Publikováno v:
Academic radiology. 8(7)
Several of the authors have previously published an analysis of multiple sources of uncertainty in the receiver operating characteristic (ROC) assessment and comparison of diagnostic modalities. The analysis assumed that the components of variance we
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::82402b3a6007b03050343373b5bf02ec
https://pubmed.ncbi.nlm.nih.gov/11450961
https://pubmed.ncbi.nlm.nih.gov/11450961
Publikováno v:
Academic radiology. 8(4)
Several authors have encouraged the use of a quasi-continuous rating scale for data collection in receiver operating characteristic (ROC) curve analysis of diagnostic modalities, rather than rating scales based on five to seven ordinal categories or
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::18d9f5775aadf02ca7bcaddb9c0cbb62
https://pubmed.ncbi.nlm.nih.gov/11293781
https://pubmed.ncbi.nlm.nih.gov/11293781
Autor:
Zdzislawa Szotek, Walter Temmerman, Adrian P. Sutton, H. Winter, Gillian A. Gehring, Sergei L. Dudarev, S. V. Beiden, Axel Svane
Publikováno v:
High-Performance Computing ISBN: 9781461372110
Density Functional Theory provides an exact mapping of a many-body electron problem which occurs in solids onto a one-electron problem1. Instead of considering, for N interacting electrons in an external potential u(r), the 3N-dimensional Schrodinger
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6148930da420d7be817e5012191ec6e2
https://doi.org/10.1007/978-1-4615-4873-7_23
https://doi.org/10.1007/978-1-4615-4873-7_23
Publikováno v:
Stability of Materials ISBN: 9781461380283
Problems of structural evolution of nonequilibrium alloy states attract much attention. Theoretically, they are studied using either approximate kinetic equations1–6 (AKE) for the local concentration or mean occupation number c i =c(r i ,t) at latt
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::004762a814657dbcfd933bd2def5612d
https://doi.org/10.1007/978-1-4613-0385-5_10
https://doi.org/10.1007/978-1-4613-0385-5_10
Autor:
G. M. Stocks, W. M. Temmerman, Yang Wang, S. V. Beiden, Z. Szotek, William A. Shelton, Guang-Yu Guo, Gillian A. Gehring, Hubert Ebert, Don M. Nicholson
Publikováno v:
MRS Proceedings. 408
We have implemented the fully relativistic and spin-polarized extension of the O(N) real space locally self-consistent multiple scattering formalism [1]. Here we present preliminary results for the spin and orbital magnetic moments and magneto-crysta
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b625271c7580061b9d84c81d8d168065
https://doi.org/10.1557/proc-408-73
https://doi.org/10.1557/proc-408-73