Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Mihály A Csirik"'
Publikováno v:
ACS Physical Chemistry Au, Vol 3, Iss 6, Pp 492-511 (2023)
Externí odkaz:
https://doaj.org/article/0b9d300898174dd7a5cba828e8ea114d
Coupled-Cluster theory revisited Part II: Analysis of the single-reference Coupled-Cluster equations
Autor:
Mihály A. Csirik, Andre Laestadius
In a series of two articles, we propose a comprehensive mathematical framework for Coupled-Cluster-type methods. In this second part, we analyze the nonlinear equations of the single-reference Coupled-Cluster method using topological degree theory. W
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5081febb5ce1ace5f6b0e1338c6b14f2
http://hdl.handle.net/10852/101903
http://hdl.handle.net/10852/101903
Autor:
Mihály A. Csirik, Andre Laestadius
Publikováno v:
ESAIM: Mathematical Modelling and Numerical Analysis (ESAIM: M2AN)
In a series of two articles, we propose a comprehensive mathematical framework for Coupled-Cluster-type methods. These methods aim at accurately solving the many-body Schrodinger equation. In this first part, we rigorously describe the discretization
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::80af8ec35a544bff4f3d74b8aa6d742e
https://hdl.handle.net/11250/3061298
https://hdl.handle.net/11250/3061298
Publikováno v:
Electronic Structure
For a quantum-mechanical many-electron system, given a density, the Zhao–Morrison–Parr method allows to compute the effective potential that yields precisely that density. In this work, we demonstrate how this and similar inversion procedures mat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c605b05fe460112866357d745d3148ec
http://arxiv.org/abs/2212.12727
http://arxiv.org/abs/2212.12727
Publikováno v:
ACS Physical Chemistry Au
The Hohenberg–Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. Part I of this review aims at cl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4d604a1e4e125073f4ff8ab50304eba4