...% latex2html id marker 50962
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...)% latex2html id marker 50980
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...% latex2html id marker 50991
\setcounter{footnote}{7}\fnsymbol{footnote}
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...% latex2html id marker 51031
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... multiplicity% latex2html id marker 51859
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Provided that it is not an unrestricted open shell run. In this case the wavefunctions will not be spin eigenfunctions and multiplicities are not well defined.
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... CCSD(T).% latex2html id marker 52104
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Note that for the explicitely correlated CCSD variants the explicitely-correlated double excitations are neglected for the calculation of the triples corrections.
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... line% latex2html id marker 52127
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For other avaible approximation and the corresponding input options see Sec. 15.2.13.
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... DIIS% latex2html id marker 52952
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P.Pulay; Chem.Phys.Lett., 73, 393 (1980), P.Pulay; J.Comput.Chem., 4, 556 (1982)
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... parameters% latex2html id marker 53006
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C. C. J. Roothaan: Rev. Mod. Phys. 32 (1960) 179.
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