Matches in SemOpenAlex for { <https://semopenalex.org/work/W4318996925> ?p ?o ?g. }
- W4318996925 endingPage "7301" @default.
- W4318996925 startingPage "7289" @default.
- W4318996925 abstract "Numerous numerical studies have shown that geminal-based methods are a promising direction to model strongly correlated systems with low computational costs. Several strategies have been introduced to capture the missing dynamical correlation effects, which typically exploit a posteriori corrections to account for correlation effects associated with broken-pair states or inter-geminal correlations. In this article, we scrutinize the accuracy of the pair coupled cluster doubles (pCCD) method extended by configuration interaction (CI) theory. Specifically, we benchmark various CI models, including, at most double excitations against selected CC corrections as well as conventional single-reference CC methods. A simple Davidson correction is also tested. The accuracy of the proposed pCCD-CI approaches is assessed for challenging small model systems such as the N2 and F2 dimers and various di- and triatomic actinide-containing compounds. In general, the proposed CI methods considerably improve spectroscopic constants compared to the conventional CCSD approach, provided a Davidson correction is included in the theoretical model. At the same time, their accuracy lies between those of the linearized frozen pCCD and frozen pCCD variants." @default.
- W4318996925 created "2023-02-03" @default.
- W4318996925 creator A5037649922 @default.
- W4318996925 creator A5080426164 @default.
- W4318996925 date "2023-01-01" @default.
- W4318996925 modified "2023-10-11" @default.
- W4318996925 title "A configuration interaction correction on top of pair coupled cluster doubles" @default.
- W4318996925 cites W1506775775 @default.
- W4318996925 cites W1520157508 @default.
- W4318996925 cites W1560454934 @default.
- W4318996925 cites W1690544311 @default.
- W4318996925 cites W1894303640 @default.
- W4318996925 cites W1964461029 @default.
- W4318996925 cites W1965120816 @default.
- W4318996925 cites W1965366440 @default.
- W4318996925 cites W1965638901 @default.
- W4318996925 cites W1968633753 @default.
- W4318996925 cites W1969027160 @default.
- W4318996925 cites W1969223159 @default.
- W4318996925 cites W1969544113 @default.
- W4318996925 cites W1971818787 @default.
- W4318996925 cites W1975647886 @default.
- W4318996925 cites W1976423315 @default.
- W4318996925 cites W1976935265 @default.
- W4318996925 cites W1983411505 @default.
- W4318996925 cites W1983580579 @default.
- W4318996925 cites W1984034051 @default.
- W4318996925 cites W1984830779 @default.
- W4318996925 cites W1985175271 @default.
- W4318996925 cites W1990471006 @default.
- W4318996925 cites W1992525338 @default.
- W4318996925 cites W1997481885 @default.
- W4318996925 cites W1999528125 @default.
- W4318996925 cites W2003197455 @default.
- W4318996925 cites W2003475831 @default.
- W4318996925 cites W2004739131 @default.
- W4318996925 cites W2005975841 @default.
- W4318996925 cites W2008611626 @default.
- W4318996925 cites W2008835782 @default.
- W4318996925 cites W2013473862 @default.
- W4318996925 cites W2015159024 @default.
- W4318996925 cites W2016407890 @default.
- W4318996925 cites W2017375869 @default.
- W4318996925 cites W2018345611 @default.
- W4318996925 cites W2024328721 @default.
- W4318996925 cites W2024970531 @default.
- W4318996925 cites W2027784210 @default.
- W4318996925 cites W2029936615 @default.
- W4318996925 cites W2031022555 @default.
- W4318996925 cites W2032965291 @default.
- W4318996925 cites W2036687769 @default.
- W4318996925 cites W2037405141 @default.
- W4318996925 cites W2037768897 @default.
- W4318996925 cites W2037883956 @default.
- W4318996925 cites W2038505673 @default.
- W4318996925 cites W2041390033 @default.
- W4318996925 cites W2046002177 @default.
- W4318996925 cites W2047202646 @default.
- W4318996925 cites W2047729295 @default.
- W4318996925 cites W2050415506 @default.
- W4318996925 cites W2055028524 @default.
- W4318996925 cites W2059466640 @default.
- W4318996925 cites W2062488393 @default.
- W4318996925 cites W2063789843 @default.
- W4318996925 cites W2065953457 @default.
- W4318996925 cites W2069006374 @default.
- W4318996925 cites W2070202320 @default.
- W4318996925 cites W2074474245 @default.
- W4318996925 cites W2078098050 @default.
- W4318996925 cites W2079091945 @default.
- W4318996925 cites W2079881477 @default.
- W4318996925 cites W2085174729 @default.
- W4318996925 cites W2085622890 @default.
- W4318996925 cites W2086953512 @default.
- W4318996925 cites W2089064777 @default.
- W4318996925 cites W2093185917 @default.
- W4318996925 cites W2098546605 @default.
- W4318996925 cites W2100949693 @default.
- W4318996925 cites W2107102329 @default.
- W4318996925 cites W2112777631 @default.
- W4318996925 cites W2117197597 @default.
- W4318996925 cites W2124053504 @default.
- W4318996925 cites W2125908348 @default.
- W4318996925 cites W2132347175 @default.
- W4318996925 cites W2140936017 @default.
- W4318996925 cites W2141120304 @default.
- W4318996925 cites W2143838347 @default.
- W4318996925 cites W2153412875 @default.
- W4318996925 cites W2159449161 @default.
- W4318996925 cites W2165020513 @default.
- W4318996925 cites W2166364272 @default.
- W4318996925 cites W2166441528 @default.
- W4318996925 cites W2167252445 @default.
- W4318996925 cites W2167497505 @default.
- W4318996925 cites W2217500107 @default.
- W4318996925 cites W2229810118 @default.
- W4318996925 cites W2247230455 @default.
- W4318996925 cites W2304942819 @default.