Matches in SemOpenAlex for { <https://semopenalex.org/work/W4295279882> ?p ?o ?g. }
Showing items 1 to 90 of
90
with 100 items per page.
- W4295279882 abstract "A Generalized Morse Potential (GMP) is an extension of the Morse Potential (MP) with an additional exponential term and an additional parameter that compensate for MP’s erroneous behavior in the long range part of the interaction potential. Because of the additional term and parameter, the vibrational levels of the GMP cannot be solved analytically, unlike the case for the MP. We present several numerical approaches for solving the vibrational problem of the GMP based on Galerkin methods, namely, the Laguerre Polynomial Method (LPM), the Symmetrized LPM, and the Polynomial Expansion Method (PEM), and apply them to the vibrational levels of the homonuclear diatomic molecules B2, O2, and F2, for which high level theoretical near full configuration interaction (CI) electronic ground state potential energy surfaces and experimentally measured vibrational levels have been reported. Overall, the LPM produces vibrational states for the GMP that are converged to within spectroscopic accuracy of 0.01 cm−1 in between 1 and 2 orders of magnitude faster and with much fewer basis functions/grid points than the Colbert–Miller Discrete Variable Representation (CN-DVR) method for the three homonuclear diatomic molecules examined in this study. A Python library that fits and solves the GMP and similar potentials can be downloaded from https://gitlab.com/gds001uw/generalized-morse-solver." @default.
- W4295279882 created "2022-09-12" @default.
- W4295279882 creator A5034959099 @default.
- W4295279882 creator A5068503645 @default.
- W4295279882 creator A5078411693 @default.
- W4295279882 creator A5084313473 @default.
- W4295279882 date "2022-10-13" @default.
- W4295279882 modified "2023-10-14" @default.
- W4295279882 title "Vibrational levels of a generalized Morse potential" @default.
- W4295279882 cites W1627795997 @default.
- W4295279882 cites W1655579630 @default.
- W4295279882 cites W1663600328 @default.
- W4295279882 cites W1797407667 @default.
- W4295279882 cites W1966702069 @default.
- W4295279882 cites W1971161319 @default.
- W4295279882 cites W1974551373 @default.
- W4295279882 cites W1994119344 @default.
- W4295279882 cites W2002064027 @default.
- W4295279882 cites W2003301106 @default.
- W4295279882 cites W2006824613 @default.
- W4295279882 cites W2029385409 @default.
- W4295279882 cites W2036450327 @default.
- W4295279882 cites W2037244048 @default.
- W4295279882 cites W2045811613 @default.
- W4295279882 cites W2051429213 @default.
- W4295279882 cites W2052179355 @default.
- W4295279882 cites W2053194337 @default.
- W4295279882 cites W2056558954 @default.
- W4295279882 cites W2087225946 @default.
- W4295279882 cites W2155630681 @default.
- W4295279882 cites W2333444710 @default.
- W4295279882 cites W2398717608 @default.
- W4295279882 cites W2481263163 @default.
- W4295279882 cites W3095066679 @default.
- W4295279882 cites W3103145119 @default.
- W4295279882 doi "https://doi.org/10.1063/5.0103433" @default.
- W4295279882 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36243526" @default.
- W4295279882 hasPublicationYear "2022" @default.
- W4295279882 type Work @default.
- W4295279882 citedByCount "0" @default.
- W4295279882 crossrefType "journal-article" @default.
- W4295279882 hasAuthorship W4295279882A5034959099 @default.
- W4295279882 hasAuthorship W4295279882A5068503645 @default.
- W4295279882 hasAuthorship W4295279882A5078411693 @default.
- W4295279882 hasAuthorship W4295279882A5084313473 @default.
- W4295279882 hasBestOaLocation W42952798821 @default.
- W4295279882 hasConcept C111806078 @default.
- W4295279882 hasConcept C121332964 @default.
- W4295279882 hasConcept C126255220 @default.
- W4295279882 hasConcept C130787639 @default.
- W4295279882 hasConcept C185592680 @default.
- W4295279882 hasConcept C2775961149 @default.
- W4295279882 hasConcept C32909587 @default.
- W4295279882 hasConcept C33923547 @default.
- W4295279882 hasConcept C40447573 @default.
- W4295279882 hasConcept C62520636 @default.
- W4295279882 hasConcept C84551667 @default.
- W4295279882 hasConceptScore W4295279882C111806078 @default.
- W4295279882 hasConceptScore W4295279882C121332964 @default.
- W4295279882 hasConceptScore W4295279882C126255220 @default.
- W4295279882 hasConceptScore W4295279882C130787639 @default.
- W4295279882 hasConceptScore W4295279882C185592680 @default.
- W4295279882 hasConceptScore W4295279882C2775961149 @default.
- W4295279882 hasConceptScore W4295279882C32909587 @default.
- W4295279882 hasConceptScore W4295279882C33923547 @default.
- W4295279882 hasConceptScore W4295279882C40447573 @default.
- W4295279882 hasConceptScore W4295279882C62520636 @default.
- W4295279882 hasConceptScore W4295279882C84551667 @default.
- W4295279882 hasIssue "14" @default.
- W4295279882 hasLocation W42952798821 @default.
- W4295279882 hasLocation W42952798822 @default.
- W4295279882 hasLocation W42952798823 @default.
- W4295279882 hasLocation W42952798824 @default.
- W4295279882 hasLocation W42952798825 @default.
- W4295279882 hasOpenAccess W4295279882 @default.
- W4295279882 hasPrimaryLocation W42952798821 @default.
- W4295279882 hasRelatedWork W1519985825 @default.
- W4295279882 hasRelatedWork W1969686644 @default.
- W4295279882 hasRelatedWork W1974428671 @default.
- W4295279882 hasRelatedWork W2005369456 @default.
- W4295279882 hasRelatedWork W2006182502 @default.
- W4295279882 hasRelatedWork W2051329891 @default.
- W4295279882 hasRelatedWork W2078274232 @default.
- W4295279882 hasRelatedWork W2094282285 @default.
- W4295279882 hasRelatedWork W2169934672 @default.
- W4295279882 hasRelatedWork W4295279882 @default.
- W4295279882 hasVolume "157" @default.
- W4295279882 isParatext "false" @default.
- W4295279882 isRetracted "false" @default.
- W4295279882 workType "article" @default.