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Download e-book for kindle: Angliyskiy yazyk. Grammaticheskiy spravochnik s by Peregudova Elvira Shakirovna, Pastuh Kuzovlev Vladimir

By Peregudova Elvira Shakirovna, Pastuh Kuzovlev Vladimir Petrovich

ISBN-10: 5090289573

ISBN-13: 9785090289573

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Additional resources for Angliyskiy yazyk. Grammaticheskiy spravochnik s uprazhneniyami. 2 klass. FGOS

Example text

The first of this kind was Hylleraas' well-known set(54) (27) where I, m, n are integers '1' '2 denote the distances of the electrons from the nucleus S='1 +'2,1='1-'2, and'12 stands for the interelectronic distance. This basis set turned out to be very effective in describing correlation effects in two-electron systems. This fact is due to the presence of, 12, which causes that short expansions in terms of functions of the form (27) can properly reproduce the behavior of the exact function for small , 12; in particular it makes it possible to satisfy the correlation cusp relation (55) where "a v" denotes spherical averaging.

14 Karol Jankowski figurations, which are doubly excited with respect to the configuration defining the RHF wave function. To proceed further, it is necessary to consider the structure of atomic wave function represented in the L-S coupling scheme in more detail. , Ref. 42). J C(AN-2. ,S, T x {cJ>(A%-2, ai'S I {N - 2}) q>(K, TI N -1, N) }~~,Ms (20) where {N} == {Xl' X2,'''' xn} is the set of space and spin coordinates of the electrons; q>(K, TI N - 1, N) is the antisymmetric pair function defined by the pair K== (nJi' nA) of HF orbitals and corresponding to the symmetry designation T== (Lp, Sp).

As we have already mentioned, for most of the possible choices of atomic orbitals the CI procedure is rather slowly convergent. An interesting alternative to such a formulation represents approaches that aim at optimizing both the expansion coefficients and the orbitals defining the configurations in a truncated CI expansion (35). Such a type of approach, known as the multiconfiguration self-consistent field (MCSCF) method was first applied by D. R. Hartree et al. (62) with some orbital restrictions that were eliminated later by Jucys.

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Angliyskiy yazyk. Grammaticheskiy spravochnik s uprazhneniyami. 2 klass. FGOS by Peregudova Elvira Shakirovna, Pastuh Kuzovlev Vladimir Petrovich


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