FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1973594951> ?p ?o ?g. }

• W1973594951 endingPage "10434" @default.
• W1973594951 startingPage "10425" @default.
• W1973594951 abstract "The accuracy and robustness of several approximate methods for computing linear and nonlinear optical spectra are considered. The analysis is performed in the context of a benchmark model that consists of a two-state chromophore with shifted harmonic potential surfaces that differ in frequency. The exact one- and two-dimensional spectra for this system are calculated and compared to spectra calculated via the following approximate methods: (1) The semiclassical forward-backward initial-value representation (FB-IVR) method; (2) the linearized semiclassical (LSC) method; (3) the standard second-order cumulant approximation which is based on the ground-state equilibrium frequency-frequency correlation function (2OC); (4) an alternative second-order cumulant approximation which is able to account for nonequilibrium dynamics on the excited-state potential surface (2OCa). All four approximate methods can be shown to reproduce the exact results when the frequencies of the ground and excited harmonic surfaces are identical. However, allowing for the ground and excited surfaces to differ in frequency leads to a more meaningful benchmark model for which none of the four approximate methods is exact. We present a comparison of one- and two-dimensional spectra calculated via the above-mentioned approximate methods to the corresponding exact spectra, as a function of the following parameters: (1) The ratio of excited state to ground-state frequencies; (2) Temperature; (3) The horizontal displacement of the excited-state potential relative to the ground-state potential; (4) The waiting time between the coherence periods in the case of two-dimensional spectra. The FB-IVR method is found to predict spectra which are practically indistinguishable from the exact ones over a wide region of parameter space. The LSC method is found to predict spectra which are in good agreement with the exact ones over the same region of parameter space. The 2OC and 2OCa are found to be highly inaccurate unless the frequencies of the ground and excited states are very similar. These observations give credence to the use of the LSC method for modeling spectra in complex systems, where exact or even FB-IVR-based calculations are prohibitively expensive." @default.
• W1973594951 created "2016-06-24" @default.
• W1973594951 creator A5041302491 @default.
• W1973594951 creator A5049904386 @default.
• W1973594951 date "2009-09-04" @default.
• W1973594951 modified "2023-09-26" @default.
• W1973594951 title "A Benchmark Study of Different Methods for Calculating One- And Two-Dimensional Optical Spectra" @default.
• W1973594951 cites W1963937030 @default.
• W1973594951 cites W1965245320 @default.
• W1973594951 cites W1966048890 @default.
• W1973594951 cites W1968657803 @default.
• W1973594951 cites W1969387779 @default.
• W1973594951 cites W1974801369 @default.
• W1973594951 cites W1983913871 @default.
• W1973594951 cites W1995002936 @default.
• W1973594951 cites W1995286844 @default.
• W1973594951 cites W1998179906 @default.
• W1973594951 cites W2000071996 @default.
• W1973594951 cites W2000539509 @default.
• W1973594951 cites W2005454001 @default.
• W1973594951 cites W2012027528 @default.
• W1973594951 cites W2012942365 @default.
• W1973594951 cites W2012971270 @default.
• W1973594951 cites W2017805558 @default.
• W1973594951 cites W2020915987 @default.
• W1973594951 cites W2021352796 @default.
• W1973594951 cites W2030371331 @default.
• W1973594951 cites W2030977809 @default.
• W1973594951 cites W2031504404 @default.
• W1973594951 cites W2032323922 @default.
• W1973594951 cites W2037986648 @default.
• W1973594951 cites W2039162450 @default.
• W1973594951 cites W2039609114 @default.
• W1973594951 cites W2048116819 @default.
• W1973594951 cites W2056842976 @default.
• W1973594951 cites W2058550041 @default.
• W1973594951 cites W2059218458 @default.
• W1973594951 cites W2062494637 @default.
• W1973594951 cites W2064620743 @default.
• W1973594951 cites W2068663677 @default.
• W1973594951 cites W2069672553 @default.
• W1973594951 cites W2079361425 @default.
• W1973594951 cites W2081473396 @default.
• W1973594951 cites W2084003249 @default.
• W1973594951 cites W2105576535 @default.
• W1973594951 cites W2113191985 @default.
• W1973594951 cites W2136215776 @default.
• W1973594951 cites W2170974954 @default.
• W1973594951 cites W4231362780 @default.
• W1973594951 doi "https://doi.org/10.1021/jp905305t" @default.
• W1973594951 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19775171" @default.
• W1973594951 hasPublicationYear "2009" @default.
• W1973594951 type Work @default.
• W1973594951 sameAs 1973594951 @default.
• W1973594951 citedByCount "48" @default.
• W1973594951 countsByYear W19735949512013 @default.
• W1973594951 countsByYear W19735949512014 @default.
• W1973594951 countsByYear W19735949512015 @default.
• W1973594951 countsByYear W19735949512016 @default.
• W1973594951 countsByYear W19735949512017 @default.
• W1973594951 countsByYear W19735949512018 @default.
• W1973594951 countsByYear W19735949512019 @default.
• W1973594951 countsByYear W19735949512020 @default.
• W1973594951 countsByYear W19735949512021 @default.
• W1973594951 countsByYear W19735949512022 @default.
• W1973594951 countsByYear W19735949512023 @default.
• W1973594951 crossrefType "journal-article" @default.
• W1973594951 hasAuthorship W1973594951A5041302491 @default.
• W1973594951 hasAuthorship W1973594951A5049904386 @default.
• W1973594951 hasConcept C121332964 @default.
• W1973594951 hasConcept C121864883 @default.
• W1973594951 hasConcept C127934551 @default.
• W1973594951 hasConcept C151730666 @default.
• W1973594951 hasConcept C181500209 @default.
• W1973594951 hasConcept C185592680 @default.
• W1973594951 hasConcept C2779343474 @default.
• W1973594951 hasConcept C30475298 @default.
• W1973594951 hasConcept C4839761 @default.
• W1973594951 hasConcept C535169671 @default.
• W1973594951 hasConcept C62520636 @default.
• W1973594951 hasConcept C69523127 @default.
• W1973594951 hasConcept C84114770 @default.
• W1973594951 hasConcept C86803240 @default.
• W1973594951 hasConceptScore W1973594951C121332964 @default.
• W1973594951 hasConceptScore W1973594951C121864883 @default.
• W1973594951 hasConceptScore W1973594951C127934551 @default.
• W1973594951 hasConceptScore W1973594951C151730666 @default.
• W1973594951 hasConceptScore W1973594951C181500209 @default.
• W1973594951 hasConceptScore W1973594951C185592680 @default.
• W1973594951 hasConceptScore W1973594951C2779343474 @default.
• W1973594951 hasConceptScore W1973594951C30475298 @default.
• W1973594951 hasConceptScore W1973594951C4839761 @default.
• W1973594951 hasConceptScore W1973594951C535169671 @default.
• W1973594951 hasConceptScore W1973594951C62520636 @default.
• W1973594951 hasConceptScore W1973594951C69523127 @default.
• W1973594951 hasConceptScore W1973594951C84114770 @default.
• W1973594951 hasConceptScore W1973594951C86803240 @default.
• W1973594951 hasIssue "39" @default.

• next