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Local multiplicity

The operator J corresponds to the classical Coulomb repulsion, while the quantum mechanical exchange operator, K, contains the permutation operator P(12), which has the effect of interchanging the coordinates of electron 1 and 2. This causes the exchange operator to be non-local and difficult to plot, unlike the local, multiplicative Coulomb operator, J. However, the exchange energy is... [Pg.276]

Local multiplicity of each diradical center (singlet or triplet as approximated by the VB structures of Fig. 3). [Pg.143]

X. Qu et ah. Nanometer-localized multiple single-molecule fluorescence microscopy. Proc. Natl. Acad. Sci. USA 101(31), 11298-11303 (2004)... [Pg.398]

We would like to stress here a terminological issue. The description of the solute charge distribution in terms of point charges is the lowest level of a local multiple expansion of pM We have considered this... [Pg.61]

On the interface between the foam and the ambient liquid medium, one can set the local multiplicity equal to the multiplicity Kmn of the spherical foam. On the interface between the foam and a porous filter, one can set the value of the volume moisture content provided by this filter [246],... [Pg.318]

Krotov,. V.,The theory ofsyneresis of foams and concentrated emulsions. 1. Local multiplicity of polyhedral disperse systems, Colloid Journal, Vol. 42, No. 6, 1980. [Pg.359]

Experimental investigations of two-phonon spectra of crystals with defects are continuing. This is what makes the further theoretical analysis of local multiple-particle states in crystals a timely object of research. [Pg.211]

As an approximation to the exact many-electron wave function of the real system, we will use the Slater determinant built from the occupied KS MO s [64]. Although it is only an approximation to the exact many-electron wave function of the real system, it seems to be a reasonable one especially if one is interested in calculations of one-electron matrix elements only (in the case of a local multiplicative operator such an approximation yields the exact values of the matrix elements). To describe an excited state corresponding to the transition of an electron from the occupied MO k into the virtual MO a , we will use the many-electron wave function of the excited state in the form of a Slater determinant that differs from the ground state determinant by replacing the occupied MO k by the virtual MO a . [Pg.282]

Using 1° antibodies made in the different species is the easiest way to localize multiple proteins (Chapter 11). However, it is not possible to get all 1° antibodies needed from a different species. This is especially true because there are so many mouse monoclonal antibodies available. Eventually, an experiment will need two mouse 1° antibodies or two rabbit 1° antibodies. This chapter presents the concept of combining multiple 1° antibodies made in the same species of animals. Two different approaches include block-between method and labeled Fab procedure (Lewis et al., 1993) that is available as the commercial product, Zenon (Molecular Probes/Invitrogen). [Pg.120]

Since all the wavefunctions in family 4>p yield the same electron density p(r), they must also have the same expectation value for any local multiplicative operator for example, for the V(i) V ri) electron-nuclear attraction operator, as... [Pg.123]

Let us consider a family of (exact) Hamiltonians for the same number n of electrons. These Hamiltonians can only differ in the external potential V, we hence have a T-dependent family of Hamiltonians. Let us further assume that V is a continuous set of local (multiplicative) potentials, and that for the whole family of potentials considered, the ground state is non-degenerate (the latter restriction is actually not necessary). The energy E of the ground state is then a functional of V, i.e. E = E V). It is also clear how one has to proceed to evaluate this functional one constructs the Hamiltonians H V),... [Pg.207]

An ingredient of Kohn-Sham type DF methods is that the modified external potential for the artificial non-interacting system should be local (multiplicative). [Pg.210]

The BFOSUM substitution matrices have been constructed in a similar fashion, but make use of a different strategy for estimating the target frequencies (Henikoff and Henikoff, 1992). The imderlying data are derived from the BFOCKS database (Henikoff and Henikoff, 1991), which contains local multiple alignments ( blocks )... [Pg.195]

On a supine film changes such as dilatation with or without obstruction, calcification and displacement of normal structures can all be identified and localized. Multiple (distended) loops are indicative of distal pathology (Fig. 5.2), whereas a few (distended) loops suggest proximal intestinal pathology (Fig. 5.3). [Pg.168]

The generation of localized, multiple ionization events by single-particle traversals is a unique property of ionizing radiation (IR) and the main cause for the high efficiency of induction of double-stranded breaks (DSBs) and other complex DNA lesions. [Pg.251]


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See also in sourсe #XX -- [ Pg.318 ]




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