Matches in SemOpenAlex for { <https://semopenalex.org/work/W3105364228> ?p ?o ?g. }
- W3105364228 abstract "We propose two schemes for interpolation of the one-particle Green’s function (GF) calculated within a coupled-cluster singles and doubles (CCSD) method for a periodic system. These schemes use Wannier orbitals for circumventing huge cost for a large number of sampled k points. One of the schemes is the direct interpolation, which obtains the GF straightforwardly by using Fourier transformation. The other is the self-energy-mediated interpolation, which obtains the GF via the Dyson equation. We apply the schemes to a LiH chain and trans-polyacetylene and examine their validity in detail. It is demonstrated that the direct-interpolated GFs suffer from numerical artifacts stemming from slow convergence of CCSD GFs in real space, while the self-energy-mediated interpolation provides more physically appropriate GFs due to the localized nature of CCSD self-energies. Our schemes are also applicable to other correlated methods capable of providing GFs." @default.
- W3105364228 created "2020-11-23" @default.
- W3105364228 creator A5004569261 @default.
- W3105364228 creator A5025900726 @default.
- W3105364228 date "2019-03-18" @default.
- W3105364228 modified "2023-10-18" @default.
- W3105364228 title "Wannier interpolation of one-particle Green’s functions from coupled-cluster singles and doubles (CCSD)" @default.
- W3105364228 cites W1526521280 @default.
- W3105364228 cites W1963561050 @default.
- W3105364228 cites W1968874869 @default.
- W3105364228 cites W1975679496 @default.
- W3105364228 cites W1981568509 @default.
- W3105364228 cites W1982684764 @default.
- W3105364228 cites W1983596827 @default.
- W3105364228 cites W1987686027 @default.
- W3105364228 cites W1995033734 @default.
- W3105364228 cites W1995204673 @default.
- W3105364228 cites W1995696119 @default.
- W3105364228 cites W2005062393 @default.
- W3105364228 cites W2011327487 @default.
- W3105364228 cites W2014094922 @default.
- W3105364228 cites W2015115007 @default.
- W3105364228 cites W2017684018 @default.
- W3105364228 cites W2021798130 @default.
- W3105364228 cites W2022067433 @default.
- W3105364228 cites W2024353350 @default.
- W3105364228 cites W2030976617 @default.
- W3105364228 cites W2033230568 @default.
- W3105364228 cites W2040543790 @default.
- W3105364228 cites W2042484811 @default.
- W3105364228 cites W2042938036 @default.
- W3105364228 cites W2044533594 @default.
- W3105364228 cites W2046604198 @default.
- W3105364228 cites W2055831666 @default.
- W3105364228 cites W2056898105 @default.
- W3105364228 cites W2066481445 @default.
- W3105364228 cites W2069740276 @default.
- W3105364228 cites W2082347469 @default.
- W3105364228 cites W2092605931 @default.
- W3105364228 cites W2114450344 @default.
- W3105364228 cites W2121448251 @default.
- W3105364228 cites W2161516432 @default.
- W3105364228 cites W2164805481 @default.
- W3105364228 cites W2166259094 @default.
- W3105364228 cites W2215785532 @default.
- W3105364228 cites W2230728100 @default.
- W3105364228 cites W2324835313 @default.
- W3105364228 cites W2560224915 @default.
- W3105364228 cites W2582560477 @default.
- W3105364228 cites W2770678711 @default.
- W3105364228 cites W2793617578 @default.
- W3105364228 cites W2798822688 @default.
- W3105364228 cites W2811122695 @default.
- W3105364228 cites W2890329758 @default.
- W3105364228 cites W3100746952 @default.
- W3105364228 cites W3102909809 @default.
- W3105364228 doi "https://doi.org/10.1063/1.5079474" @default.
- W3105364228 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30902011" @default.
- W3105364228 hasPublicationYear "2019" @default.
- W3105364228 type Work @default.
- W3105364228 sameAs 3105364228 @default.
- W3105364228 citedByCount "3" @default.
- W3105364228 countsByYear W31053642282020 @default.
- W3105364228 countsByYear W31053642282021 @default.
- W3105364228 countsByYear W31053642282022 @default.
- W3105364228 crossrefType "journal-article" @default.
- W3105364228 hasAuthorship W3105364228A5004569261 @default.
- W3105364228 hasAuthorship W3105364228A5025900726 @default.
- W3105364228 hasBestOaLocation W31053642282 @default.
- W3105364228 hasConcept C104114177 @default.
- W3105364228 hasConcept C121332964 @default.
- W3105364228 hasConcept C137800194 @default.
- W3105364228 hasConcept C14022793 @default.
- W3105364228 hasConcept C162324750 @default.
- W3105364228 hasConcept C164866538 @default.
- W3105364228 hasConcept C19637589 @default.
- W3105364228 hasConcept C199360897 @default.
- W3105364228 hasConcept C2777303404 @default.
- W3105364228 hasConcept C32909587 @default.
- W3105364228 hasConcept C33923547 @default.
- W3105364228 hasConcept C41008148 @default.
- W3105364228 hasConcept C50522688 @default.
- W3105364228 hasConcept C62520636 @default.
- W3105364228 hasConcept C74650414 @default.
- W3105364228 hasConceptScore W3105364228C104114177 @default.
- W3105364228 hasConceptScore W3105364228C121332964 @default.
- W3105364228 hasConceptScore W3105364228C137800194 @default.
- W3105364228 hasConceptScore W3105364228C14022793 @default.
- W3105364228 hasConceptScore W3105364228C162324750 @default.
- W3105364228 hasConceptScore W3105364228C164866538 @default.
- W3105364228 hasConceptScore W3105364228C19637589 @default.
- W3105364228 hasConceptScore W3105364228C199360897 @default.
- W3105364228 hasConceptScore W3105364228C2777303404 @default.
- W3105364228 hasConceptScore W3105364228C32909587 @default.
- W3105364228 hasConceptScore W3105364228C33923547 @default.
- W3105364228 hasConceptScore W3105364228C41008148 @default.
- W3105364228 hasConceptScore W3105364228C50522688 @default.
- W3105364228 hasConceptScore W3105364228C62520636 @default.
- W3105364228 hasConceptScore W3105364228C74650414 @default.
- W3105364228 hasIssue "11" @default.