Zobrazeno 1 - 10
of 24
pro vyhledávání: '"Aleksei V. Ivanov"'
Publikováno v:
Археология евразийских степей, Vol 6, Pp 283-296 (2023)
Several skulls dated to the Early Iron Age discovered in various burial grounds located in the Prikuban and North Caucasus regions are examined in the article. All the skulls are dated to the early Iron Age. The skulls exhibit distinctive signs of sc
Externí odkaz:
https://doaj.org/article/c6b7d70e195e4b4d8d9a0d652531d89f
Publikováno v:
SciPost Physics, Vol 15, Iss 1, p 009 (2023)
Elucidation of the mechanism for optical spin initialization of point defects in solids in the context of quantum applications requires an accurate description of the excited electronic states involved. While variational density functional calculatio
Externí odkaz:
https://doaj.org/article/e1cf7a758b6b44d6b417da7c5d56abe8
Autor:
Aleksei V. Ivanov, Christoph Sünderhauf, Nicole Holzmann, Tom Ellaby, Rachel N. Kerber, Glenn Jones, Joan Camps
Publikováno v:
Physical Review Research, Vol 5, Iss 1, p 013200 (2023)
In this work, we present a quantum algorithm for ground-state energy calculations of periodic solids on error-corrected quantum computers. The algorithm is based on the sparse qubitization approach in second quantization and developed for Bloch and W
Externí odkaz:
https://doaj.org/article/37b51e6f4e5c4132a4ed2b83dc0385f5
Autor:
Aleksei V. Ivanov, Christoph Sünderhauf, Nicole Holzmann, Tom Ellaby, Rachel N. Kerber, Glenn Jones, Joan Camps
In this work, we present a quantum algorithm for ground-state energy calculations of periodic solids on error-corrected quantum computers. The algorithm is based on the sparse qubitization approach in second quantization and developed for Bloch and W
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fbd06467cf6d973f8c6c35707b35f3d9
http://arxiv.org/abs/2210.02403
http://arxiv.org/abs/2210.02403
Autor:
Fares N. Abu-Abed, Aleksei V. Ivanov
Publikováno v:
Vestnik of Kuzbass State Technical University. :69-76
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d3827834417ccf0a45245829f040ffe4
https://doi.org/10.26730/1999-4125-2020-5-69-76
https://doi.org/10.26730/1999-4125-2020-5-69-76
Publikováno v:
Journal of Chemical Theory and Computation. 16:6968-6982
The development of variational density functional theory approaches to excited electronic states is impeded by limitations of the commonly used self-consistent field (SCF) procedure. A method based on a direct optimization approach as well as the max
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7f312222ae9f45c4f5795836ed090e50
https://doi.org/10.1021/acs.jctc.0c00597
https://doi.org/10.1021/acs.jctc.0c00597
Publikováno v:
Faraday Discussions. 224:448-466
Post-print (lokagerð höfundar)
A direct optimization method for obtaining excited electronic states using density functionals is presented. It involves selective convergence on saddle points on the energy surface representing the variation of
A direct optimization method for obtaining excited electronic states using density functionals is presented. It involves selective convergence on saddle points on the energy surface representing the variation of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7779f11bc00358595685752d8b14f828
https://doi.org/10.1039/d0fd00064g
https://doi.org/10.1039/d0fd00064g
Publikováno v:
Journal of chemical theory and computation. 17(8)
A direct orbital optimization method is presented for density functional calculations of excited electronic states using either a real space grid or a plane wave basis set. The method is variational, provides atomic forces in the excited states, and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b8e6f454f7c4f6fe8ca656ad8dfbf9aa
https://pubmed.ncbi.nlm.nih.gov/34227810
https://pubmed.ncbi.nlm.nih.gov/34227810
Publikováno v:
Letters on Materials. 9:485-489
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4392840f5903d238b935254903eef8a5
https://doi.org/10.22226/2410-3535-2019-4-485-489
https://doi.org/10.22226/2410-3535-2019-4-485-489
Autor:
Sebastian Schwalbe, Jens Kortus, Aleksei V. Ivanov, Simon Liebing, Wanja Timm Schulze, Kai Trepte, Susi Lehtola, Hemanadhan Myneni
Fermi--L\"owdin orbitals (FLO) are a special set of localized orbitals, which have become commonly used in combination with the Perdew--Zunger self-interaction correction (SIC) in the FLO-SIC method. The FLOs are obtained for a set of occupied orbita
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ae2b737ce73ede42e9d45d97f70c23f6