Matches in SemOpenAlex for { <https://semopenalex.org/work/W88187811> ?p ?o ?g. }
Showing items 1 to 81 of
81
with 100 items per page.
- W88187811 endingPage "11" @default.
- W88187811 startingPage "8" @default.
- W88187811 abstract "Calculation of the electronic and structural properties of solids using a variational quantum Monte Carlo nonlocal pseudopotential approach is described. Ionization potentials and electron affinities for atoms, and binding energies and structural properties for crystals are found to be in very good agreement with experiment. The approach employs a correlated many-electron wavefunction of the Jastrow-Slater form and the exact Coulomb interaction between valence electrons. One- and two-body terms in the Jastrow factor are used and found necessary for an accurate description of the electron-electron energy for the systems considered. The method has further been applied to compute various single-particle properties for solids including the single-particle orbital occupancy, electron pair correlation functions, and quasiparticle excitation energies. 23 refs., 3 figs., 3 tabs." @default.
- W88187811 created "2016-06-24" @default.
- W88187811 creator A5045377460 @default.
- W88187811 date "1989-09-01" @default.
- W88187811 modified "2023-09-27" @default.
- W88187811 title "Variational quantum Monte Carlo calculation of electronic and structural properties of crystals" @default.
- W88187811 hasPublicationYear "1989" @default.
- W88187811 type Work @default.
- W88187811 sameAs 88187811 @default.
- W88187811 citedByCount "0" @default.
- W88187811 crossrefType "journal-article" @default.
- W88187811 hasAuthorship W88187811A5045377460 @default.
- W88187811 hasConcept C105795698 @default.
- W88187811 hasConcept C113603373 @default.
- W88187811 hasConcept C121332964 @default.
- W88187811 hasConcept C132378524 @default.
- W88187811 hasConcept C136479403 @default.
- W88187811 hasConcept C147120987 @default.
- W88187811 hasConcept C154018700 @default.
- W88187811 hasConcept C16016025 @default.
- W88187811 hasConcept C184779094 @default.
- W88187811 hasConcept C189394030 @default.
- W88187811 hasConcept C19499675 @default.
- W88187811 hasConcept C2777102306 @default.
- W88187811 hasConcept C33923547 @default.
- W88187811 hasConcept C38649801 @default.
- W88187811 hasConcept C54101563 @default.
- W88187811 hasConcept C62520636 @default.
- W88187811 hasConcept C84114770 @default.
- W88187811 hasConcept C86025842 @default.
- W88187811 hasConcept C86966772 @default.
- W88187811 hasConcept C9342510 @default.
- W88187811 hasConceptScore W88187811C105795698 @default.
- W88187811 hasConceptScore W88187811C113603373 @default.
- W88187811 hasConceptScore W88187811C121332964 @default.
- W88187811 hasConceptScore W88187811C132378524 @default.
- W88187811 hasConceptScore W88187811C136479403 @default.
- W88187811 hasConceptScore W88187811C147120987 @default.
- W88187811 hasConceptScore W88187811C154018700 @default.
- W88187811 hasConceptScore W88187811C16016025 @default.
- W88187811 hasConceptScore W88187811C184779094 @default.
- W88187811 hasConceptScore W88187811C189394030 @default.
- W88187811 hasConceptScore W88187811C19499675 @default.
- W88187811 hasConceptScore W88187811C2777102306 @default.
- W88187811 hasConceptScore W88187811C33923547 @default.
- W88187811 hasConceptScore W88187811C38649801 @default.
- W88187811 hasConceptScore W88187811C54101563 @default.
- W88187811 hasConceptScore W88187811C62520636 @default.
- W88187811 hasConceptScore W88187811C84114770 @default.
- W88187811 hasConceptScore W88187811C86025842 @default.
- W88187811 hasConceptScore W88187811C86966772 @default.
- W88187811 hasConceptScore W88187811C9342510 @default.
- W88187811 hasLocation W881878111 @default.
- W88187811 hasOpenAccess W88187811 @default.
- W88187811 hasPrimaryLocation W881878111 @default.
- W88187811 hasRelatedWork W1839111928 @default.
- W88187811 hasRelatedWork W1973306417 @default.
- W88187811 hasRelatedWork W1995628370 @default.
- W88187811 hasRelatedWork W2017721687 @default.
- W88187811 hasRelatedWork W2021431390 @default.
- W88187811 hasRelatedWork W2034594124 @default.
- W88187811 hasRelatedWork W2065666457 @default.
- W88187811 hasRelatedWork W2084029674 @default.
- W88187811 hasRelatedWork W2089647542 @default.
- W88187811 hasRelatedWork W2090162518 @default.
- W88187811 hasRelatedWork W2124723648 @default.
- W88187811 hasRelatedWork W2156884498 @default.
- W88187811 hasRelatedWork W2329911880 @default.
- W88187811 hasRelatedWork W2781956181 @default.
- W88187811 hasRelatedWork W288984857 @default.
- W88187811 hasRelatedWork W2995894431 @default.
- W88187811 hasRelatedWork W3099633025 @default.
- W88187811 hasRelatedWork W3101826616 @default.
- W88187811 hasRelatedWork W3102450817 @default.
- W88187811 hasRelatedWork W3104940485 @default.
- W88187811 isParatext "false" @default.
- W88187811 isRetracted "false" @default.
- W88187811 magId "88187811" @default.
- W88187811 workType "article" @default.