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• W2013417491 abstract "Efficient computer codes for the explicitly correlated coupled-cluster (CC-R12 or F12) methods with up to triple (CCSDT-R12) and quadruple excitations (CCSDTQ-R12), which take account of the spin, Abelian point-group, and index-permutation symmetries and are based on complete diagrammatic equations, have been implemented with the aid of the computerized symbolic algebra SMITH. Together with the explicitly correlated coupled-cluster singles and doubles (CCSD-R12) method reported earlier [T. Shiozaki et al., J. Chem. Phys. 129, 071101 (2008)], they form a hierarchy of systematic approximations (CCSD-R12&lt;CCSDT-R12&lt;CCSDTQ-R12) that converge very rapidly toward the exact solutions of the polyatomic Schrödinger equations with respect to both the highest excitation rank and basis-set size. Using the Slater-type function exp(−γr12) as a correlation function, a CC-R12 method can provide the aug-cc-pV5Z-quality results of the conventional CC method of the same excitation rank using only the aug-cc-pVTZ basis set. Combining these CC-R12 methods with the grid-based, numerical Hartree–Fock equation solver [T. Shiozaki and S. Hirata, Phys. Rev. A 76, 040503(R) (2007)], the solutions (eigenvalues) of the Schrödinger equations of neon, boron hydride, hydrogen fluoride, and water at their equilibrium geometries have been obtained as −128.9377±0.0004, −25.2892±0.0002, −100.459±0.001, and −76.437±0.003 Eh, respectively, without resorting to complete-basis-set extrapolations. These absolute total energies or the corresponding correlation energies agree within the quoted uncertainty with the accurate, nonrelativistic, Born–Oppenheimer values derived experimentally and/or computationally." @default.
• W2013417491 created "2016-06-24" @default.
• W2013417491 creator A5003699729 @default.
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• W2013417491 creator A5055658408 @default.
• W2013417491 creator A5072031636 @default.
• W2013417491 date "2009-02-02" @default.
• W2013417491 modified "2023-10-03" @default.
• W2013417491 title "Higher-order explicitly correlated coupled-cluster methods" @default.
• W2013417491 cites W1532595750 @default.
• W2013417491 cites W1536545035 @default.
• W2013417491 cites W1964653967 @default.
• W2013417491 cites W1964929368 @default.
• W2013417491 cites W1975702269 @default.
• W2013417491 cites W1977634669 @default.
• W2013417491 cites W1982274673 @default.
• W2013417491 cites W1983331399 @default.
• W2013417491 cites W1985583109 @default.
• W2013417491 cites W1990790376 @default.
• W2013417491 cites W1991918364 @default.
• W2013417491 cites W1993077801 @default.
• W2013417491 cites W1995011915 @default.
• W2013417491 cites W1997401575 @default.
• W2013417491 cites W1998399936 @default.
• W2013417491 cites W1998970054 @default.
• W2013417491 cites W1999947210 @default.
• W2013417491 cites W2001854013 @default.
• W2013417491 cites W2002125606 @default.
• W2013417491 cites W2006110525 @default.
• W2013417491 cites W2007151057 @default.
• W2013417491 cites W2007340669 @default.
• W2013417491 cites W2008117787 @default.
• W2013417491 cites W2008618431 @default.
• W2013417491 cites W2009448696 @default.
• W2013417491 cites W2011540334 @default.
• W2013417491 cites W2011869873 @default.
• W2013417491 cites W2012458244 @default.
• W2013417491 cites W2013183108 @default.
• W2013417491 cites W2013953996 @default.
• W2013417491 cites W2015195977 @default.
• W2013417491 cites W2016723111 @default.
• W2013417491 cites W2018924126 @default.
• W2013417491 cites W2022591290 @default.
• W2013417491 cites W2028388745 @default.
• W2013417491 cites W2029449853 @default.
• W2013417491 cites W2037464166 @default.
• W2013417491 cites W2040181622 @default.
• W2013417491 cites W2044050365 @default.
• W2013417491 cites W2044623480 @default.
• W2013417491 cites W2047072197 @default.
• W2013417491 cites W2050670694 @default.
• W2013417491 cites W2051784248 @default.
• W2013417491 cites W2054952644 @default.
• W2013417491 cites W2055662248 @default.
• W2013417491 cites W2057673394 @default.
• W2013417491 cites W2058352201 @default.
• W2013417491 cites W2061309794 @default.
• W2013417491 cites W2062500657 @default.
• W2013417491 cites W2062606596 @default.
• W2013417491 cites W2064281491 @default.
• W2013417491 cites W2065716066 @default.
• W2013417491 cites W2066394404 @default.
• W2013417491 cites W2067362550 @default.
• W2013417491 cites W2068320807 @default.
• W2013417491 cites W2068718465 @default.
• W2013417491 cites W2069006374 @default.
• W2013417491 cites W2069208437 @default.
• W2013417491 cites W2069572183 @default.
• W2013417491 cites W2070292874 @default.
• W2013417491 cites W2070295485 @default.
• W2013417491 cites W2073205477 @default.
• W2013417491 cites W2075486066 @default.
• W2013417491 cites W2077042418 @default.
• W2013417491 cites W2078770016 @default.
• W2013417491 cites W2080618037 @default.
• W2013417491 cites W2081028417 @default.
• W2013417491 cites W2084201016 @default.
• W2013417491 cites W2091828981 @default.
• W2013417491 cites W2092034903 @default.
• W2013417491 cites W2093135480 @default.
• W2013417491 cites W2098614082 @default.
• W2013417491 cites W2099485304 @default.
• W2013417491 cites W2099798607 @default.
• W2013417491 cites W2103329428 @default.
• W2013417491 cites W2109931506 @default.
• W2013417491 cites W2110733790 @default.
• W2013417491 cites W2113068505 @default.
• W2013417491 cites W2117083307 @default.
• W2013417491 cites W2502223572 @default.
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• W2013417491 doi "https://doi.org/10.1063/1.3068302" @default.
• W2013417491 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19206952" @default.
• W2013417491 hasPublicationYear "2009" @default.
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