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• W2071609690 endingPage "1965" @default.
• W2071609690 startingPage "1951" @default.
• W2071609690 abstract "Given the recent developments in methodology associated with the accurate computation of molecular systems with weak interactions, it is of particular interest to revisit systems that are notoriously challenging for determining reliable potential energy surface (PES) descriptions. Additionally, challenges associated with carrying out complete basis set extrapolation procedures and treatment of basis set superposition error (BSSE) are of importance in these descriptions. In this work, investigation into the ability to accurately predict the potential energy surfaces of the main Rg3 molecules (Rg = He, Ne, Ar) is made across a range of wave function types and large basis sets, including the use of several established extrapolation procedures and counterpoise corrections. Wave function types span most classes of density functional types, including the newest DFT-D schemes, and are benchmarked against high accuracy CCSD(T)/CBS methodology. Study of such systems is valuable, as they serve as simple models for many complex properties, most importantly n-body weak interaction energies." @default.
• W2071609690 created "2016-06-24" @default.
• W2071609690 creator A5011836705 @default.
• W2071609690 creator A5045316090 @default.
• W2071609690 creator A5077120442 @default.
• W2071609690 date "2010-06-25" @default.
• W2071609690 modified "2023-10-18" @default.
• W2071609690 title "Assessment of DFT and DFT-D for Potential Energy Surfaces of Rare Gas Trimers—Implementation and Analysis of Functionals and Extrapolation Procedures" @default.
• W2071609690 cites W1501761362 @default.
• W2071609690 cites W1963683620 @default.
• W2071609690 cites W1965509686 @default.
• W2071609690 cites W1966501836 @default.
• W2071609690 cites W1968074774 @default.
• W2071609690 cites W1970559039 @default.
• W2071609690 cites W1971063822 @default.
• W2071609690 cites W1972134977 @default.
• W2071609690 cites W1973577800 @default.
• W2071609690 cites W1975002236 @default.
• W2071609690 cites W1978263246 @default.
• W2071609690 cites W1979409583 @default.
• W2071609690 cites W1979609408 @default.
• W2071609690 cites W1980625065 @default.
• W2071609690 cites W1980911641 @default.
• W2071609690 cites W1981353016 @default.
• W2071609690 cites W1981745234 @default.
• W2071609690 cites W1982841719 @default.
• W2071609690 cites W1983738730 @default.
• W2071609690 cites W1984139317 @default.
• W2071609690 cites W1984614201 @default.
• W2071609690 cites W1985599341 @default.
• W2071609690 cites W1987017694 @default.
• W2071609690 cites W1991713655 @default.
• W2071609690 cites W1993573315 @default.
• W2071609690 cites W1996095059 @default.
• W2071609690 cites W1996692332 @default.
• W2071609690 cites W1997553840 @default.
• W2071609690 cites W1998434228 @default.
• W2071609690 cites W1999726656 @default.
• W2071609690 cites W2000798385 @default.
• W2071609690 cites W2003193361 @default.
• W2071609690 cites W2003798223 @default.
• W2071609690 cites W2010072670 @default.
• W2071609690 cites W2012129602 @default.
• W2071609690 cites W2012460834 @default.
• W2071609690 cites W2013341293 @default.
• W2071609690 cites W2015777650 @default.
• W2071609690 cites W2016841413 @default.
• W2071609690 cites W2017956449 @default.
• W2071609690 cites W2018426499 @default.
• W2071609690 cites W2020111875 @default.
• W2071609690 cites W2021485612 @default.
• W2071609690 cites W2022744685 @default.
• W2071609690 cites W2023271753 @default.
• W2071609690 cites W2025200641 @default.
• W2071609690 cites W2027568006 @default.
• W2071609690 cites W2029948600 @default.
• W2071609690 cites W2032719166 @default.
• W2071609690 cites W2035358261 @default.
• W2071609690 cites W2038991519 @default.
• W2071609690 cites W2040626072 @default.
• W2071609690 cites W2041715937 @default.
• W2071609690 cites W2042994860 @default.
• W2071609690 cites W2043777352 @default.
• W2071609690 cites W2044507210 @default.
• W2071609690 cites W2044591029 @default.
• W2071609690 cites W2044940178 @default.
• W2071609690 cites W2045239086 @default.
• W2071609690 cites W2045349985 @default.
• W2071609690 cites W2047644723 @default.
• W2071609690 cites W2050087869 @default.
• W2071609690 cites W2056735280 @default.
• W2071609690 cites W2057431797 @default.
• W2071609690 cites W2057563514 @default.
• W2071609690 cites W2058649679 @default.
• W2071609690 cites W2061439390 @default.
• W2071609690 cites W2062852634 @default.
• W2071609690 cites W2064876085 @default.
• W2071609690 cites W2069006374 @default.
• W2071609690 cites W2074406273 @default.
• W2071609690 cites W2078850127 @default.
• W2071609690 cites W2078949482 @default.
• W2071609690 cites W2079245444 @default.
• W2071609690 cites W2079460619 @default.
• W2071609690 cites W2079935930 @default.
• W2071609690 cites W2082685920 @default.
• W2071609690 cites W2085336624 @default.
• W2071609690 cites W2086457107 @default.
• W2071609690 cites W2086957099 @default.
• W2071609690 cites W2088902741 @default.
• W2071609690 cites W2089472499 @default.
• W2071609690 cites W2090358425 @default.
• W2071609690 cites W2092669319 @default.
• W2071609690 cites W2094166630 @default.
• W2071609690 cites W2095100262 @default.
• W2071609690 cites W2095532666 @default.
• W2071609690 cites W2104096416 @default.
• W2071609690 cites W2125132504 @default.
• W2071609690 cites W2130918438 @default.

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