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- W2033094787 abstract "Limiting values for Mo/ller–Plesset second‐order (MP2) correlation energies are provided for the ten‐electron systems Ne, HF, and H2O, for the N2 molecule, and for the weak He...He interatomic interaction energy. These limiting values were obtained by the MP2‐R12 approach. This approach differs from traditional MP2 theory by employing first‐order wave functions which explicitly depend on the interelectronic coordinates rij. With the MP2‐R12 method, the atomic orbital (AO) basis set limits for the systems under study are reached. The calculations provide insight into AO basis set requirements for methods with linear rij dependence (R12 methods), e.g., for coupled cluster methods, or multireference configuration interaction methods. Moreover, it is expected that the results have the potential to serve as valuable benchmarks for further developments in the field of explicitly correlated wave functions, for example for expansions in terms of Gaussian geminals (Gaussian functions which depend on rij). The present calculations on HF, H2O, and N2 provide the most accurate second‐order correlation energies to date for these systems." @default.
- W2033094787 created "2016-06-24" @default.
- W2033094787 creator A5014682778 @default.
- W2033094787 date "1995-04-15" @default.
- W2033094787 modified "2023-10-14" @default.
- W2033094787 title "Limiting values for Mo/ller–Plesset second‐order correlation energies of polyatomic systems: A benchmark study on Ne, HF, H<sub>2</sub>O, N<sub>2</sub>, and He...He" @default.
- W2033094787 cites W1548970943 @default.
- W2033094787 cites W1590462473 @default.
- W2033094787 cites W1964653967 @default.
- W2033094787 cites W1965226332 @default.
- W2033094787 cites W1967061235 @default.
- W2033094787 cites W1967442207 @default.
- W2033094787 cites W1969471530 @default.
- W2033094787 cites W1969841644 @default.
- W2033094787 cites W1969926506 @default.
- W2033094787 cites W1971174087 @default.
- W2033094787 cites W1972211355 @default.
- W2033094787 cites W1975956995 @default.
- W2033094787 cites W1978408297 @default.
- W2033094787 cites W1981745234 @default.
- W2033094787 cites W1983946495 @default.
- W2033094787 cites W1984284399 @default.
- W2033094787 cites W1987045601 @default.
- W2033094787 cites W1987539496 @default.
- W2033094787 cites W1987882204 @default.
- W2033094787 cites W1989280775 @default.
- W2033094787 cites W1992718569 @default.
- W2033094787 cites W1996290894 @default.
- W2033094787 cites W1996448219 @default.
- W2033094787 cites W1996987156 @default.
- W2033094787 cites W1997072717 @default.
- W2033094787 cites W1998399936 @default.
- W2033094787 cites W2000988042 @default.
- W2033094787 cites W2001566226 @default.
- W2033094787 cites W2003250347 @default.
- W2033094787 cites W2004023936 @default.
- W2033094787 cites W2004614040 @default.
- W2033094787 cites W2005463955 @default.
- W2033094787 cites W2007895649 @default.
- W2033094787 cites W2010399932 @default.
- W2033094787 cites W2011324528 @default.
- W2033094787 cites W2011526717 @default.
- W2033094787 cites W2012911012 @default.
- W2033094787 cites W2013685657 @default.
- W2033094787 cites W2015919691 @default.
- W2033094787 cites W2017318499 @default.
- W2033094787 cites W2024557359 @default.
- W2033094787 cites W2025481553 @default.
- W2033094787 cites W2027392880 @default.
- W2033094787 cites W2028838659 @default.
- W2033094787 cites W2029449853 @default.
- W2033094787 cites W2029960443 @default.
- W2033094787 cites W2033774079 @default.
- W2033094787 cites W2035028578 @default.
- W2033094787 cites W2046623084 @default.
- W2033094787 cites W2054092108 @default.
- W2033094787 cites W2054744949 @default.
- W2033094787 cites W2057283597 @default.
- W2033094787 cites W2058152575 @default.
- W2033094787 cites W2058908475 @default.
- W2033094787 cites W2060528551 @default.
- W2033094787 cites W2061921496 @default.
- W2033094787 cites W2063377731 @default.
- W2033094787 cites W2067824212 @default.
- W2033094787 cites W2069006374 @default.
- W2033094787 cites W2069342338 @default.
- W2033094787 cites W2069572183 @default.
- W2033094787 cites W2070804064 @default.
- W2033094787 cites W2071968667 @default.
- W2033094787 cites W2072204098 @default.
- W2033094787 cites W2073205477 @default.
- W2033094787 cites W2075289491 @default.
- W2033094787 cites W2078004970 @default.
- W2033094787 cites W2080788545 @default.
- W2033094787 cites W2086596229 @default.
- W2033094787 cites W2087573926 @default.
- W2033094787 cites W2090358425 @default.
- W2033094787 cites W2092282925 @default.
- W2033094787 cites W2093257593 @default.
- W2033094787 cites W2099003888 @default.
- W2033094787 cites W2100894824 @default.
- W2033094787 cites W2108463221 @default.
- W2033094787 cites W2117083307 @default.
- W2033094787 cites W4230151690 @default.
- W2033094787 cites W4243450318 @default.
- W2033094787 cites W2625668336 @default.
- W2033094787 doi "https://doi.org/10.1063/1.469351" @default.
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