Matches in SemOpenAlex for { <https://semopenalex.org/work/W4366733178> ?p ?o ?g. }
Showing items 1 to 65 of
65
with 100 items per page.
- W4366733178 abstract "Density-potential functional theory (DPFT) is an alternative formulation of orbital-free density functional theory that may be suitable for modeling the electronic structure of large systems. To date, DPFT has been applied mainly to quantum gases in one- and two dimensional settings. In this work, we study the performance of DPFT when applied to real-life systems: atoms, dimers, and nanoparticles. We build on systematic Suzuki-Trotter factorizations of the quantum-mechanical propagator and on the Wigner function formalism, respectively, to derive nonlocal as well as semilocal functional approximations in complete analogy to their well-established lower-dimensional versions -- without resorting to system-specific approximations or ad-hoc measures of any kind. The cost for computing the associated semiclassical ground-state single-particle density scales (quasi-)linearly with particle number. We illustrate that the developed density formulae become relatively more accurate for larger particle numbers, can be improved systematically, are quite universally applicable, and, hence, may offer alternatives to existing orbital-free methods for mesoscopic quantum systems." @default.
- W4366733178 created "2023-04-24" @default.
- W4366733178 creator A5041386051 @default.
- W4366733178 creator A5042357207 @default.
- W4366733178 creator A5087328377 @default.
- W4366733178 date "2023-04-19" @default.
- W4366733178 modified "2023-09-24" @default.
- W4366733178 title "Atoms, dimers, and nanoparticles from orbital-free density-potential functional theory" @default.
- W4366733178 doi "https://doi.org/10.48550/arxiv.2304.10059" @default.
- W4366733178 hasPublicationYear "2023" @default.
- W4366733178 type Work @default.
- W4366733178 citedByCount "0" @default.
- W4366733178 crossrefType "posted-content" @default.
- W4366733178 hasAuthorship W4366733178A5041386051 @default.
- W4366733178 hasAuthorship W4366733178A5042357207 @default.
- W4366733178 hasAuthorship W4366733178A5087328377 @default.
- W4366733178 hasBestOaLocation W43667331781 @default.
- W4366733178 hasConcept C104416048 @default.
- W4366733178 hasConcept C104970782 @default.
- W4366733178 hasConcept C121332964 @default.
- W4366733178 hasConcept C121864883 @default.
- W4366733178 hasConcept C142362112 @default.
- W4366733178 hasConcept C147120987 @default.
- W4366733178 hasConcept C152365726 @default.
- W4366733178 hasConcept C153349607 @default.
- W4366733178 hasConcept C177731217 @default.
- W4366733178 hasConcept C189394030 @default.
- W4366733178 hasConcept C535169671 @default.
- W4366733178 hasConcept C558565934 @default.
- W4366733178 hasConcept C62520636 @default.
- W4366733178 hasConcept C73301696 @default.
- W4366733178 hasConcept C84114770 @default.
- W4366733178 hasConcept C9249130 @default.
- W4366733178 hasConceptScore W4366733178C104416048 @default.
- W4366733178 hasConceptScore W4366733178C104970782 @default.
- W4366733178 hasConceptScore W4366733178C121332964 @default.
- W4366733178 hasConceptScore W4366733178C121864883 @default.
- W4366733178 hasConceptScore W4366733178C142362112 @default.
- W4366733178 hasConceptScore W4366733178C147120987 @default.
- W4366733178 hasConceptScore W4366733178C152365726 @default.
- W4366733178 hasConceptScore W4366733178C153349607 @default.
- W4366733178 hasConceptScore W4366733178C177731217 @default.
- W4366733178 hasConceptScore W4366733178C189394030 @default.
- W4366733178 hasConceptScore W4366733178C535169671 @default.
- W4366733178 hasConceptScore W4366733178C558565934 @default.
- W4366733178 hasConceptScore W4366733178C62520636 @default.
- W4366733178 hasConceptScore W4366733178C73301696 @default.
- W4366733178 hasConceptScore W4366733178C84114770 @default.
- W4366733178 hasConceptScore W4366733178C9249130 @default.
- W4366733178 hasLocation W43667331781 @default.
- W4366733178 hasOpenAccess W4366733178 @default.
- W4366733178 hasPrimaryLocation W43667331781 @default.
- W4366733178 hasRelatedWork W1582342966 @default.
- W4366733178 hasRelatedWork W1729706581 @default.
- W4366733178 hasRelatedWork W1984931133 @default.
- W4366733178 hasRelatedWork W1987237953 @default.
- W4366733178 hasRelatedWork W2001239249 @default.
- W4366733178 hasRelatedWork W2008920194 @default.
- W4366733178 hasRelatedWork W2152284439 @default.
- W4366733178 hasRelatedWork W2231421957 @default.
- W4366733178 hasRelatedWork W3004281419 @default.
- W4366733178 hasRelatedWork W4294657599 @default.
- W4366733178 isParatext "false" @default.
- W4366733178 isRetracted "false" @default.
- W4366733178 workType "article" @default.