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Computer-improved total correlation

Homonudear Hartmann-Hahn sequences with delays were developed for clean TOCSY experiments (see Section X.B). Examples are delayed MLEV-17 (Griesinger et al., 1988), delayed DIPSI-2 (Cavanagh and Ranee, 1992), and clean CITY (computer-improved total-correlation spectroscopy Briand and Ernst, 1991). The MGS sequences (Schwendinger et al., 1994) are examples of broadband heteronuclear Hartmann-Hahn mbdng sequences with delays and variable rf amplitudes. [Pg.105]

CITY Computer-improved total correlation spectroscopy... [Pg.239]

This can be calculated exactly provided that Hartree-Fock, correlated, and density functional calculations are carried out. Since the idea is to improve results at the minimum computational cost, the following approximations can be made in obtaining I, which is the most difficult part of the total energy to calculate. (The others, the noninteracting kinetic energy Ts and the nuclear-electron interaction are trivially obtained.)... [Pg.24]

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Computer correlations

TOTAL Correlations

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