FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2947668847> ?p ?o ?g. }

• W2947668847 endingPage "4169" @default.
• W2947668847 startingPage "4156" @default.
• W2947668847 abstract "A general and semi-automatic technique, based on the complex absorbing potential (CAP) method, is developed for the variational computation and identification of rotational-vibrational resonance states. This technique is an extension of a method introduced by Tremblay and Carrington ( J. Chem. Phys. 2005, 122, 244107 ), and it employs the damped eigenvectors of a CAP-modified Hamiltonian as a basis to describe resonance wave functions. The low-lying resonances of the weakly bound Ar·NO+ complex are computed with the new and the traditional CAP techniques to test the new algorithm. As an additional, more challenging test case, the bound and resonance rovibrational states of the H2 dimer, the latter with both negative and positive binding energies, are determined, corresponding to different rotational excitations of the H2 monomers. Resonances above the first few dissociation channels of (H2)2 are computed with the new and the traditional CAP methods, revealing some new, assigned resonance quantum states not reported in the literature." @default.
• W2947668847 created "2019-06-07" @default.
• W2947668847 creator A5032204821 @default.
• W2947668847 creator A5070768854 @default.
• W2947668847 creator A5088764108 @default.
• W2947668847 date "2019-05-30" @default.
• W2947668847 modified "2023-10-17" @default.
• W2947668847 title "Toward Automated Variational Computation of Rovibrational Resonances, Including a Case Study of the H₂ Dimer" @default.
• W2947668847 cites W1575990399 @default.
• W2947668847 cites W1597170587 @default.
• W2947668847 cites W1649271673 @default.
• W2947668847 cites W1656633868 @default.
• W2947668847 cites W1846314934 @default.
• W2947668847 cites W1970467757 @default.
• W2947668847 cites W1983377221 @default.
• W2947668847 cites W1985238476 @default.
• W2947668847 cites W1992236414 @default.
• W2947668847 cites W1992901000 @default.
• W2947668847 cites W1993441285 @default.
• W2947668847 cites W2004557770 @default.
• W2947668847 cites W2016631851 @default.
• W2947668847 cites W2018764772 @default.
• W2947668847 cites W2020868600 @default.
• W2947668847 cites W2020906383 @default.
• W2947668847 cites W2021644341 @default.
• W2947668847 cites W2025261147 @default.
• W2947668847 cites W2037129102 @default.
• W2947668847 cites W2037989612 @default.
• W2947668847 cites W2043523237 @default.
• W2947668847 cites W2044615130 @default.
• W2947668847 cites W2053526780 @default.
• W2947668847 cites W2054424046 @default.
• W2947668847 cites W2069006374 @default.
• W2947668847 cites W2078353519 @default.
• W2947668847 cites W2080025438 @default.
• W2947668847 cites W2094706090 @default.
• W2947668847 cites W2103138952 @default.
• W2947668847 cites W2107053834 @default.
• W2947668847 cites W2117818918 @default.
• W2947668847 cites W2124564917 @default.
• W2947668847 cites W2133238493 @default.
• W2947668847 cites W2135657919 @default.
• W2947668847 cites W2144749861 @default.
• W2947668847 cites W2173633196 @default.
• W2947668847 cites W2200946855 @default.
• W2947668847 cites W2546949829 @default.
• W2947668847 cites W2590075372 @default.
• W2947668847 cites W2626003159 @default.
• W2947668847 cites W2751027921 @default.
• W2947668847 cites W2787054877 @default.
• W2947668847 doi "https://doi.org/10.1021/acs.jctc.9b00314" @default.
• W2947668847 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31145598" @default.
• W2947668847 hasPublicationYear "2019" @default.
• W2947668847 type Work @default.
• W2947668847 sameAs 2947668847 @default.
• W2947668847 citedByCount "5" @default.
• W2947668847 countsByYear W29476688472019 @default.
• W2947668847 countsByYear W29476688472020 @default.
• W2947668847 countsByYear W29476688472021 @default.
• W2947668847 crossrefType "journal-article" @default.
• W2947668847 hasAuthorship W2947668847A5032204821 @default.
• W2947668847 hasAuthorship W2947668847A5070768854 @default.
• W2947668847 hasAuthorship W2947668847A5088764108 @default.
• W2947668847 hasBestOaLocation W29476688471 @default.
• W2947668847 hasConcept C102931765 @default.
• W2947668847 hasConcept C113603373 @default.
• W2947668847 hasConcept C11413529 @default.
• W2947668847 hasConcept C121332964 @default.
• W2947668847 hasConcept C126255220 @default.
• W2947668847 hasConcept C130787639 @default.
• W2947668847 hasConcept C139210041 @default.
• W2947668847 hasConcept C147789679 @default.
• W2947668847 hasConcept C158693339 @default.
• W2947668847 hasConcept C167812310 @default.
• W2947668847 hasConcept C174084160 @default.
• W2947668847 hasConcept C181500209 @default.
• W2947668847 hasConcept C184779094 @default.
• W2947668847 hasConcept C185592680 @default.
• W2947668847 hasConcept C2779546866 @default.
• W2947668847 hasConcept C33923547 @default.
• W2947668847 hasConcept C41008148 @default.
• W2947668847 hasConcept C45374587 @default.
• W2947668847 hasConcept C46141821 @default.
• W2947668847 hasConcept C62520636 @default.
• W2947668847 hasConceptScore W2947668847C102931765 @default.
• W2947668847 hasConceptScore W2947668847C113603373 @default.
• W2947668847 hasConceptScore W2947668847C11413529 @default.
• W2947668847 hasConceptScore W2947668847C121332964 @default.
• W2947668847 hasConceptScore W2947668847C126255220 @default.
• W2947668847 hasConceptScore W2947668847C130787639 @default.
• W2947668847 hasConceptScore W2947668847C139210041 @default.
• W2947668847 hasConceptScore W2947668847C147789679 @default.
• W2947668847 hasConceptScore W2947668847C158693339 @default.
• W2947668847 hasConceptScore W2947668847C167812310 @default.
• W2947668847 hasConceptScore W2947668847C174084160 @default.
• W2947668847 hasConceptScore W2947668847C181500209 @default.
• W2947668847 hasConceptScore W2947668847C184779094 @default.
• W2947668847 hasConceptScore W2947668847C185592680 @default.

• next