FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3118534141> ?p ?o ?g. }

• W3118534141 abstract "We introduce a basis set consisting of three-dimensional Deslauriers-Dubuc wavelets and solve numerically the Schrodinger equations of H and He atoms and molecules ${mathrm{H}}_{2}, {mathrm{H}}_{2}^{+}$, and $mathrm{LiH}$ with Hartree-Fock and density functional theory (DFT) methods. We also compute the $2mathit{s}$ and $2mathit{p}$ excited states of hydrogen. The Coulomb singularity at the nucleus is handled by using a pseudopotential. The eigenvalue problem is solved with Arnoldi and Lanczos methods, Poisson equation with generalized minimal residual method and conjugate gradient on the normal equations methods, and matrix elements are computed using the biorthogonality relations of the interpolating wavelets. Performance is compared with those of CCCBDB and bigdft." @default.
• W3118534141 created "2021-01-18" @default.
• W3118534141 creator A5068243252 @default.
• W3118534141 creator A5084211786 @default.
• W3118534141 date "2023-08-22" @default.
• W3118534141 modified "2023-09-26" @default.
• W3118534141 title "Electronic structure calculations with interpolating tensor product wavelet basis" @default.
• W3118534141 cites W101236918 @default.
• W3118534141 cites W1965671705 @default.
• W3118534141 cites W1966164031 @default.
• W3118534141 cites W1980431326 @default.
• W3118534141 cites W1982952953 @default.
• W3118534141 cites W1996093480 @default.
• W3118534141 cites W1996982454 @default.
• W3118534141 cites W1998125416 @default.
• W3118534141 cites W2002780362 @default.
• W3118534141 cites W2015328669 @default.
• W3118534141 cites W2026444402 @default.
• W3118534141 cites W2032616131 @default.
• W3118534141 cites W2044050365 @default.
• W3118534141 cites W2044334226 @default.
• W3118534141 cites W2057505991 @default.
• W3118534141 cites W2058877606 @default.
• W3118534141 cites W2063922101 @default.
• W3118534141 cites W2066604381 @default.
• W3118534141 cites W2066738143 @default.
• W3118534141 cites W2070404703 @default.
• W3118534141 cites W2076722966 @default.
• W3118534141 cites W2082301489 @default.
• W3118534141 cites W2087867572 @default.
• W3118534141 cites W2091127828 @default.
• W3118534141 cites W2092112392 @default.
• W3118534141 cites W2094312577 @default.
• W3118534141 cites W2095402109 @default.
• W3118534141 cites W2126147864 @default.
• W3118534141 cites W2140153041 @default.
• W3118534141 cites W2141704677 @default.
• W3118534141 cites W2234101132 @default.
• W3118534141 cites W2318383869 @default.
• W3118534141 cites W2592526507 @default.
• W3118534141 cites W3151913806 @default.
• W3118534141 cites W4251619700 @default.
• W3118534141 cites W4255272544 @default.
• W3118534141 cites W4313472353 @default.
• W3118534141 doi "https://doi.org/10.1103/physreve.108.025307" @default.
• W3118534141 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37723814" @default.
• W3118534141 hasPublicationYear "2023" @default.
• W3118534141 type Work @default.
• W3118534141 sameAs 3118534141 @default.
• W3118534141 citedByCount "0" @default.
• W3118534141 crossrefType "journal-article" @default.
• W3118534141 hasAuthorship W3118534141A5068243252 @default.
• W3118534141 hasAuthorship W3118534141A5084211786 @default.
• W3118534141 hasConcept C119256216 @default.
• W3118534141 hasConcept C121332964 @default.
• W3118534141 hasConcept C12426560 @default.
• W3118534141 hasConcept C132378524 @default.
• W3118534141 hasConcept C134306372 @default.
• W3118534141 hasConcept C152365726 @default.
• W3118534141 hasConcept C154945302 @default.
• W3118534141 hasConcept C155281189 @default.
• W3118534141 hasConcept C158693339 @default.
• W3118534141 hasConcept C16171025 @default.
• W3118534141 hasConcept C202444582 @default.
• W3118534141 hasConcept C2524010 @default.
• W3118534141 hasConcept C33923547 @default.
• W3118534141 hasConcept C37914503 @default.
• W3118534141 hasConcept C41008148 @default.
• W3118534141 hasConcept C47432892 @default.
• W3118534141 hasConcept C47559304 @default.
• W3118534141 hasConcept C51255310 @default.
• W3118534141 hasConcept C62520636 @default.
• W3118534141 hasConcept C65956243 @default.
• W3118534141 hasConceptScore W3118534141C119256216 @default.
• W3118534141 hasConceptScore W3118534141C121332964 @default.
• W3118534141 hasConceptScore W3118534141C12426560 @default.
• W3118534141 hasConceptScore W3118534141C132378524 @default.
• W3118534141 hasConceptScore W3118534141C134306372 @default.
• W3118534141 hasConceptScore W3118534141C152365726 @default.
• W3118534141 hasConceptScore W3118534141C154945302 @default.
• W3118534141 hasConceptScore W3118534141C155281189 @default.
• W3118534141 hasConceptScore W3118534141C158693339 @default.
• W3118534141 hasConceptScore W3118534141C16171025 @default.
• W3118534141 hasConceptScore W3118534141C202444582 @default.
• W3118534141 hasConceptScore W3118534141C2524010 @default.
• W3118534141 hasConceptScore W3118534141C33923547 @default.
• W3118534141 hasConceptScore W3118534141C37914503 @default.
• W3118534141 hasConceptScore W3118534141C41008148 @default.
• W3118534141 hasConceptScore W3118534141C47432892 @default.
• W3118534141 hasConceptScore W3118534141C47559304 @default.
• W3118534141 hasConceptScore W3118534141C51255310 @default.
• W3118534141 hasConceptScore W3118534141C62520636 @default.
• W3118534141 hasConceptScore W3118534141C65956243 @default.
• W3118534141 hasIssue "2" @default.
• W3118534141 hasLocation W31185341411 @default.
• W3118534141 hasLocation W31185341412 @default.
• W3118534141 hasOpenAccess W3118534141 @default.
• W3118534141 hasPrimaryLocation W31185341411 @default.
• W3118534141 hasRelatedWork W1594153690 @default.
• W3118534141 hasRelatedWork W1982695173 @default.

• next