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• W3128571884 endingPage "4638" @default.
• W3128571884 startingPage "4628" @default.
• W3128571884 abstract "For revDSD double hybrids, the Gorling-Levy second-order perturbation theory component is an Achilles' Heel when applied to systems with significant near-degeneracy (static) correlation. We have explored its replacement by the direct random phase approximation (dRPA), inspired by the SCS-dRPA75 functional of K'allay and coworkers. The addition to the final energy of both a D4 empirical dispersion correction, and of a semilocal correlation component lead, to significant improvements, with DSD-PBEdRPA75-D4 approaching the performance of revDSD-PBEP86-D4 and the Berkeley $omega$B97M(2). This form appears to be fairly insensitive to the choice of semilocal functional, but does exhibit stronger basis set sensitivity than the PT2-based double hybrids (due to much larger prefactors for the nonlocal correlation). As an alternative, we explored adding an MP3-like correction term (in a medium-sized basis sets) to a range-separated $omega$DSD-PBEP86-D4 double hybrid, and found it to have significantly lower WTMAD2 (weighted mean absolute deviation) for the large and chemically diverse GMTKN55 benchmark suite; the added computational cost can be mitigated through density fitting techniques." @default.
• W3128571884 created "2021-02-15" @default.
• W3128571884 creator A5012118886 @default.
• W3128571884 creator A5015331508 @default.
• W3128571884 creator A5079236141 @default.
• W3128571884 date "2021-05-21" @default.
• W3128571884 modified "2023-09-26" @default.
• W3128571884 title "Exploring Avenues beyond Revised DSD Functionals: II. Random-Phase Approximation and Scaled MP3 Corrections" @default.
• W3128571884 cites W1596146594 @default.
• W3128571884 cites W1614843501 @default.
• W3128571884 cites W1967572562 @default.
• W3128571884 cites W1970310879 @default.
• W3128571884 cites W1970623278 @default.
• W3128571884 cites W1972160231 @default.
• W3128571884 cites W1981049088 @default.
• W3128571884 cites W1981368803 @default.
• W3128571884 cites W1981451973 @default.
• W3128571884 cites W1988091937 @default.
• W3128571884 cites W1996064028 @default.
• W3128571884 cites W2001768493 @default.
• W3128571884 cites W2005220728 @default.
• W3128571884 cites W2012458244 @default.
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• W3128571884 cites W2018674598 @default.
• W3128571884 cites W2023075769 @default.
• W3128571884 cites W2026172453 @default.
• W3128571884 cites W2030687437 @default.
• W3128571884 cites W2036068155 @default.
• W3128571884 cites W2037257883 @default.
• W3128571884 cites W2041306940 @default.
• W3128571884 cites W2049692419 @default.
• W3128571884 cites W2050890227 @default.
• W3128571884 cites W2057815662 @default.
• W3128571884 cites W2063302920 @default.
• W3128571884 cites W2067804932 @default.
• W3128571884 cites W2069453836 @default.
• W3128571884 cites W2075711588 @default.
• W3128571884 cites W2077528747 @default.
• W3128571884 cites W2080864929 @default.
• W3128571884 cites W2092157292 @default.
• W3128571884 cites W2093779539 @default.
• W3128571884 cites W2095100262 @default.
• W3128571884 cites W2096747776 @default.
• W3128571884 cites W2098694880 @default.
• W3128571884 cites W2111705896 @default.
• W3128571884 cites W2125794794 @default.
• W3128571884 cites W2139958207 @default.
• W3128571884 cites W2160425716 @default.
• W3128571884 cites W2189012021 @default.
• W3128571884 cites W2230728100 @default.
• W3128571884 cites W2288881701 @default.
• W3128571884 cites W2338354469 @default.
• W3128571884 cites W2343194204 @default.
• W3128571884 cites W2405849754 @default.
• W3128571884 cites W2418973097 @default.
• W3128571884 cites W2546975761 @default.
• W3128571884 cites W2568440958 @default.
• W3128571884 cites W2639728117 @default.
• W3128571884 cites W2732698050 @default.
• W3128571884 cites W2737449748 @default.
• W3128571884 cites W2766033847 @default.
• W3128571884 cites W2788703071 @default.
• W3128571884 cites W2790580607 @default.
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• W3128571884 cites W2805650689 @default.
• W3128571884 cites W2883697835 @default.
• W3128571884 cites W2884171160 @default.
• W3128571884 cites W2890805961 @default.
• W3128571884 cites W2897973547 @default.
• W3128571884 cites W2901151121 @default.
• W3128571884 cites W2905621884 @default.
• W3128571884 cites W2918906696 @default.
• W3128571884 cites W2936033307 @default.
• W3128571884 cites W2939868671 @default.
• W3128571884 cites W2945577118 @default.
• W3128571884 cites W2945883321 @default.
• W3128571884 cites W2947748939 @default.
• W3128571884 cites W2986023496 @default.
• W3128571884 cites W2992798461 @default.
• W3128571884 cites W3002480413 @default.
• W3128571884 cites W3007242622 @default.
• W3128571884 cites W3007776841 @default.
• W3128571884 cites W3008495456 @default.
• W3128571884 cites W3010906965 @default.
• W3128571884 cites W3024385728 @default.
• W3128571884 cites W3029125203 @default.
• W3128571884 cites W3036723969 @default.
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• W3128571884 doi "https://doi.org/10.1021/acs.jpca.1c01295" @default.
• W3128571884 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/8279643" @default.
• W3128571884 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34019413" @default.
• W3128571884 hasPublicationYear "2021" @default.
• W3128571884 type Work @default.
• W3128571884 sameAs 3128571884 @default.

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