Matches in SemOpenAlex for { <https://semopenalex.org/work/W2321875639> ?p ?o ?g. }
Showing items 1 to 93 of
93
with 100 items per page.
- W2321875639 endingPage "68" @default.
- W2321875639 startingPage "63" @default.
- W2321875639 abstract "This paper aims at determining the total energy and bond lengths of some polyatomic organic molecules, using quantum Monte Carlo (QMC) CASINO-code. The QMC code employed the VMC and DMC methods in the computations with emphasis on DMC, and using Slater-Jastrow trial wave-function formed from Hartree-Fock orbitals. The calculated results show that our reported values are in good agreement with the experimental values of both Hehre et al., and Linus Pauling. The total energies obtained in this study are 6 significant figures more accurate than those of previous studies." @default.
- W2321875639 created "2016-06-24" @default.
- W2321875639 creator A5033025512 @default.
- W2321875639 creator A5088870062 @default.
- W2321875639 date "2016-02-01" @default.
- W2321875639 modified "2023-10-12" @default.
- W2321875639 title "QMC Calculations of Total Energy and Bond Length of Some Polyatomic Organic Molecules" @default.
- W2321875639 cites W1967326454 @default.
- W2321875639 cites W1971066335 @default.
- W2321875639 cites W1984359409 @default.
- W2321875639 cites W1986913182 @default.
- W2321875639 cites W1987120872 @default.
- W2321875639 cites W1987150718 @default.
- W2321875639 cites W2033911317 @default.
- W2321875639 cites W2043599194 @default.
- W2321875639 cites W2061620672 @default.
- W2321875639 cites W2072808339 @default.
- W2321875639 cites W2083221384 @default.
- W2321875639 doi "https://doi.org/10.18052/www.scipress.com/ilcpa.64.63" @default.
- W2321875639 hasPublicationYear "2016" @default.
- W2321875639 type Work @default.
- W2321875639 sameAs 2321875639 @default.
- W2321875639 citedByCount "0" @default.
- W2321875639 crossrefType "journal-article" @default.
- W2321875639 hasAuthorship W2321875639A5033025512 @default.
- W2321875639 hasAuthorship W2321875639A5088870062 @default.
- W2321875639 hasBestOaLocation W23218756391 @default.
- W2321875639 hasConcept C105795698 @default.
- W2321875639 hasConcept C113603373 @default.
- W2321875639 hasConcept C11413529 @default.
- W2321875639 hasConcept C121332964 @default.
- W2321875639 hasConcept C122032599 @default.
- W2321875639 hasConcept C139358910 @default.
- W2321875639 hasConcept C14036430 @default.
- W2321875639 hasConcept C147120987 @default.
- W2321875639 hasConcept C147597530 @default.
- W2321875639 hasConcept C155860418 @default.
- W2321875639 hasConcept C16016025 @default.
- W2321875639 hasConcept C184779094 @default.
- W2321875639 hasConcept C185592680 @default.
- W2321875639 hasConcept C189394030 @default.
- W2321875639 hasConcept C19499675 @default.
- W2321875639 hasConcept C32909587 @default.
- W2321875639 hasConcept C33923547 @default.
- W2321875639 hasConcept C41008148 @default.
- W2321875639 hasConcept C45374587 @default.
- W2321875639 hasConcept C62520636 @default.
- W2321875639 hasConcept C66594872 @default.
- W2321875639 hasConcept C78458016 @default.
- W2321875639 hasConcept C86803240 @default.
- W2321875639 hasConceptScore W2321875639C105795698 @default.
- W2321875639 hasConceptScore W2321875639C113603373 @default.
- W2321875639 hasConceptScore W2321875639C11413529 @default.
- W2321875639 hasConceptScore W2321875639C121332964 @default.
- W2321875639 hasConceptScore W2321875639C122032599 @default.
- W2321875639 hasConceptScore W2321875639C139358910 @default.
- W2321875639 hasConceptScore W2321875639C14036430 @default.
- W2321875639 hasConceptScore W2321875639C147120987 @default.
- W2321875639 hasConceptScore W2321875639C147597530 @default.
- W2321875639 hasConceptScore W2321875639C155860418 @default.
- W2321875639 hasConceptScore W2321875639C16016025 @default.
- W2321875639 hasConceptScore W2321875639C184779094 @default.
- W2321875639 hasConceptScore W2321875639C185592680 @default.
- W2321875639 hasConceptScore W2321875639C189394030 @default.
- W2321875639 hasConceptScore W2321875639C19499675 @default.
- W2321875639 hasConceptScore W2321875639C32909587 @default.
- W2321875639 hasConceptScore W2321875639C33923547 @default.
- W2321875639 hasConceptScore W2321875639C41008148 @default.
- W2321875639 hasConceptScore W2321875639C45374587 @default.
- W2321875639 hasConceptScore W2321875639C62520636 @default.
- W2321875639 hasConceptScore W2321875639C66594872 @default.
- W2321875639 hasConceptScore W2321875639C78458016 @default.
- W2321875639 hasConceptScore W2321875639C86803240 @default.
- W2321875639 hasLocation W23218756391 @default.
- W2321875639 hasOpenAccess W2321875639 @default.
- W2321875639 hasPrimaryLocation W23218756391 @default.
- W2321875639 hasRelatedWork W1974865964 @default.
- W2321875639 hasRelatedWork W1986644024 @default.
- W2321875639 hasRelatedWork W1990315338 @default.
- W2321875639 hasRelatedWork W2013605146 @default.
- W2321875639 hasRelatedWork W2082322818 @default.
- W2321875639 hasRelatedWork W2092916910 @default.
- W2321875639 hasRelatedWork W2111540796 @default.
- W2321875639 hasRelatedWork W2321875639 @default.
- W2321875639 hasRelatedWork W4232946816 @default.
- W2321875639 hasRelatedWork W4312346589 @default.
- W2321875639 hasVolume "64" @default.
- W2321875639 isParatext "false" @default.
- W2321875639 isRetracted "false" @default.
- W2321875639 magId "2321875639" @default.
- W2321875639 workType "article" @default.