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Yamanouchi-Kotani spin functions

The c a are the spin-coupling coefficients of the a-th configuration. One should mention that in the earlier MCSC version of the method [1] all orbital configurations shared the same linear combination of the f(Ne,S) Yamanouchi-Kotani spin functions there was a single set of f(Ne,S) spin-coupling coefficients, denoted simply csk, just as in single-configuration spin-coupled theory. [Pg.283]

Spin functions constructed in this way are known as Kotani-Yamanouchi or simply Kotani spin functions after those who introduced them. They are orthonormal (see equation 14). [Pg.2675]

The spin functions obtained this way are usually referred to as Yamanouchi-Kotani functions. [Pg.140]

Finally, s,M a is the linear combination of Yamanouchi-Kotani (YK) spin functions associated with the a-th configuration... [Pg.283]

When the orbitals are ordered so that the first two are the inner orbitals and, if a valence orbital is even-numbered (odd-numbered), its symmetry-equivalent counterparts also are even-numbered (odd-numbered), then the spin part of the SC wavefunction is dominated by the perfect-pairing Yamanouchi-Kotani (YK) spin function, with a coefficient exceeding 0.99. The coefficients of the other 13 YK functions are all smaller than 0.01. [Pg.293]

The Yamanouchi-Kotani basis in the 77-electron --adapted spin space is closely related to the standard Young tableaux used in characterizing irreps of the symmetric group [50] and is conveniently represented by Van Vleck s branching diagram [18, 42]. To a basis function QfM we assign an array... [Pg.620]

The set of spin functions constructed in this way is commonly termed the standard or Kotani basis—though a more correct name would be the Young-Yamanouchi basis . There are, however, many other possible bases of spin functions (in general, there is an infinite number of choices) and we... [Pg.327]


See other pages where Yamanouchi-Kotani spin functions is mentioned: [Pg.622]    [Pg.626]    [Pg.629]    [Pg.622]    [Pg.626]    [Pg.629]    [Pg.618]    [Pg.523]    [Pg.62]   
See also in sourсe #XX -- [ Pg.126 , Pg.283 , Pg.293 , Pg.301 , Pg.620 ]




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