FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1986294586> ?p ?o ?g. }

• W1986294586 endingPage "469" @default.
• W1986294586 startingPage "435" @default.
• W1986294586 abstract "The energy levels and wavefunctions for all rovibrational bound states of HO 2 are systematically computed, for all total angular momentum values J = 0–10. The calculations are performed using ScalIT, a suite of software modules designed to enable quantum dynamics and related calculations to be performed on massively parallel computing architectures. This is the first-ever application of ScalIT to a real (and very challenging) molecular application. The codes, and in particular, the algorithms (optimal separable basis, preconditioned inexact spectral transform, phase space optimized discrete variable representation basis) are so efficient that in fact, the entire calculation can be performed on a single CPU — although parallel scalability over a small number of CPUs is also evaluated, and found to be essentially perfect in this regime. For the lowest 11 vibrational states, the rotational levels for J = 0–10 fit fairly well to a rigid rotor model, with all vibrational-state-dependent rotational constants, B eff (v), close to values obtained from a previous calculation for J = 0 and 1 [J Chem Phys107:2705, 1997]. However, comparatively larger discrepancies with the rigid-rotor model are found at the higher J values, manifesting in the observed K-splitting (along the O–O bond) of rovibrational levels. This supports earlier work [J Chem Phys113:11055, 2000] suggesting that Coriolis coupling is quite important for this system." @default.
• W1986294586 created "2016-06-24" @default.
• W1986294586 creator A5053669705 @default.
• W1986294586 creator A5068711194 @default.
• W1986294586 date "2010-04-01" @default.
• W1986294586 modified "2023-09-25" @default.
• W1986294586 title "QUANTUM DYNAMICAL CALCULATION OF ALL ROVIBRATIONAL STATES OF HO₂ FOR TOTAL ANGULAR MOMENTUM J = 0–10" @default.
• W1986294586 cites W1569090332 @default.
• W1986294586 cites W1575701986 @default.
• W1986294586 cites W1610266604 @default.
• W1986294586 cites W1662265988 @default.
• W1986294586 cites W1674969054 @default.
• W1986294586 cites W1966702069 @default.
• W1986294586 cites W1971568926 @default.
• W1986294586 cites W1972273302 @default.
• W1986294586 cites W1978904232 @default.
• W1986294586 cites W1984028139 @default.
• W1986294586 cites W1985847960 @default.
• W1986294586 cites W1986128857 @default.
• W1986294586 cites W1987726159 @default.
• W1986294586 cites W1994330319 @default.
• W1986294586 cites W1997339450 @default.
• W1986294586 cites W1998025472 @default.
• W1986294586 cites W2002543616 @default.
• W1986294586 cites W2002852659 @default.
• W1986294586 cites W2003374977 @default.
• W1986294586 cites W2009868225 @default.
• W1986294586 cites W2012126920 @default.
• W1986294586 cites W2012334223 @default.
• W1986294586 cites W2012748728 @default.
• W1986294586 cites W2018807966 @default.
• W1986294586 cites W2020156557 @default.
• W1986294586 cites W2020931475 @default.
• W1986294586 cites W2022231713 @default.
• W1986294586 cites W2023991827 @default.
• W1986294586 cites W2025763185 @default.
• W1986294586 cites W2026938533 @default.
• W1986294586 cites W2029741851 @default.
• W1986294586 cites W2037465710 @default.
• W1986294586 cites W2037492854 @default.
• W1986294586 cites W2039148516 @default.
• W1986294586 cites W2043055910 @default.
• W1986294586 cites W2044216325 @default.
• W1986294586 cites W2044223171 @default.
• W1986294586 cites W2046430762 @default.
• W1986294586 cites W2046591663 @default.
• W1986294586 cites W2048004228 @default.
• W1986294586 cites W2048715900 @default.
• W1986294586 cites W2049345899 @default.
• W1986294586 cites W2052995674 @default.
• W1986294586 cites W2054438956 @default.
• W1986294586 cites W2057897942 @default.
• W1986294586 cites W2058120086 @default.
• W1986294586 cites W2059405111 @default.
• W1986294586 cites W2061801015 @default.
• W1986294586 cites W2062204445 @default.
• W1986294586 cites W2062240003 @default.
• W1986294586 cites W2067926154 @default.
• W1986294586 cites W2070358382 @default.
• W1986294586 cites W2071224069 @default.
• W1986294586 cites W2075491062 @default.
• W1986294586 cites W20758783 @default.
• W1986294586 cites W2077661994 @default.
• W1986294586 cites W2085259167 @default.
• W1986294586 cites W2087225946 @default.
• W1986294586 cites W2088116381 @default.
• W1986294586 cites W2091463399 @default.
• W1986294586 cites W2094706090 @default.
• W1986294586 cites W2117686912 @default.
• W1986294586 cites W2120847757 @default.
• W1986294586 cites W2127864647 @default.
• W1986294586 cites W2127950933 @default.
• W1986294586 cites W2161950112 @default.
• W1986294586 cites W2164014818 @default.
• W1986294586 cites W2254649540 @default.
• W1986294586 cites W321437403 @default.
• W1986294586 doi "https://doi.org/10.1142/s0219633610005815" @default.
• W1986294586 hasPublicationYear "2010" @default.
• W1986294586 type Work @default.
• W1986294586 sameAs 1986294586 @default.
• W1986294586 citedByCount "19" @default.
• W1986294586 countsByYear W19862945862012 @default.
• W1986294586 countsByYear W19862945862013 @default.
• W1986294586 countsByYear W19862945862014 @default.
• W1986294586 countsByYear W19862945862015 @default.
• W1986294586 countsByYear W19862945862018 @default.
• W1986294586 countsByYear W19862945862019 @default.
• W1986294586 countsByYear W19862945862020 @default.
• W1986294586 countsByYear W19862945862021 @default.
• W1986294586 countsByYear W19862945862022 @default.
• W1986294586 crossrefType "journal-article" @default.
• W1986294586 hasAuthorship W1986294586A5053669705 @default.
• W1986294586 hasAuthorship W1986294586A5068711194 @default.
• W1986294586 hasConcept C113603373 @default.
• W1986294586 hasConcept C121332964 @default.
• W1986294586 hasConcept C12426560 @default.
• W1986294586 hasConcept C155675718 @default.
• W1986294586 hasConcept C167812310 @default.

• next