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Interchange theorem

Applying the interchange theorem just as we did above, now leads us to... [Pg.1204]

The generalization of the interchange theorem [103] to the correlation problem is what makes CC analytical gradient theory viable, and, indeed, routine today. Also, the introduction of the response and the relaxed density matrices provides the non-variational CC generalizations of density matrix theory that makes it almost as easy to evaluate a property as with a normal expectation value. They are actually more general, since they apply to any energy expression whether or not it derives from a wavefunction This is essential, e.g. for CCSD(T). The difference is that we require a solution for both T and A if we want to use untruncated expressions for properties, as is absolutely necessary to define proper critical points. It is certainly true that... [Pg.1206]

Such expressions for the energy and associated amplitudes have been considered in the expectation value [88] and unitary CC variants [115]. In fact, UCC is stationary [115], meaning that its solutions do not require use of the interchange theorem for the correlation part of the problem, but would still do so for the MO variation. [Pg.1206]

Figure 2.12 Special textures arising in theory, (a] Stripes, which attain the Wiener bounds of the maximal and minimal effective slip, if oriented parallel or perpendicular to the pressure gradient, respectively (b) the HS fractal pattern of nested circles, which attains the maximal/minimal slip among all isotropic textures (patched should fill up the whole space, but their number is limited here for clarity) and (c) the Schulgasser and (d) chessboard textures, whose effective slip follows from the phase-interchange theorem (adapted from. ) Abbreviation HS, Hashin-Shtrikman. Figure 2.12 Special textures arising in theory, (a] Stripes, which attain the Wiener bounds of the maximal and minimal effective slip, if oriented parallel or perpendicular to the pressure gradient, respectively (b) the HS fractal pattern of nested circles, which attains the maximal/minimal slip among all isotropic textures (patched should fill up the whole space, but their number is limited here for clarity) and (c) the Schulgasser and (d) chessboard textures, whose effective slip follows from the phase-interchange theorem (adapted from. ) Abbreviation HS, Hashin-Shtrikman.
Figure 2.14 Effective slip length, besIH, vs. (p2 Cfor = 3 W and b/H (for 4>2 = 0.5) (b) in a thin gap limit, H Figure 2.14 Effective slip length, besIH, vs. (p2 Cfor = 3 W and b/H (for 4>2 = 0.5) (b) in a thin gap limit, H <g L. SH surfaces are anisotropic stick-slip stripes attaining Wiener bounds (dashed curves), isotropic textures attaining HS bounds (upper solid lower dash-dotted curves) and satisfying the phase-interchange theorem (circles) (reprinted with permission from Ref 14, cop5u ight 2011, lOP Publishing).
Finally, phase interchange results can be applied for some specific patterns (Fig. 2.12c,d). The phase interchange theorem states that the effective permeability Keff(hi, 2) of the medium, when rotated by n/2, is related to the effective permeability of the medium, obtained by interchanging phases 1 and 2, namely, Keff(h2, hi) ... [Pg.57]

In each expression, the first two terms are equivalent, due to the interchange theorem of double perturbation theory (Dalgamo and Stewart 1956). This may be verified by making use of the equations for the two perturbations— but note that it is true only for exact wave functions. [Pg.353]

Topology of Quantum Mechanical Current Density. .. and from either side of the interchange theorems [3, 4]... [Pg.159]

A solution to this problem was first suggested by Adamowicz et al. based on the Dalgamo-Stewart interchange theorem. Rewriting equations (62) and (63) as... [Pg.627]

Due to the Cl-like nature of EOM-CC, there are no contributions involving the derivatives of 1Z and in equation (101). The derivatives of the cluster amplitudes can be eliminated from using the Dalgamo-Stewart interchange theorem yielding... [Pg.632]

The interchange theorem. The interest in the longitudinal structure in the physical space means that one intends to gather information on the shape of the correlation function 7(r) in the direction in physical space. Since this is the... [Pg.205]

Let M, V be two vertices of a tree. We say they are similar if there is an automorphism of the tree which maps u onto v. This relation of similarity is an equivalence relation and partitions the p vertices of the tree into equivalence classes. Let p be the number of equivalence classes. Similarly we say that two edges of the tree are similar if there is an automorphism which maps one onto the other. Let q be the number of equivalence classes of edges under this relation. A symmetric edge in a tree is an edge, uv say, such that there is an automorphism of the tree which interchanges u and v. Let s be the number of symmetric edges in a tree it is easy to see that s can only be 0 or 1. We then have the following theorem. [Pg.107]

To find the number of trees rooted at an edge we have merely to take the distinguished edge and add a rooted tree at each end. This is a Polya-type problem with two interchangeable boxes, and figure generating function T(x). Polya s Theorem thus gives... [Pg.108]

Let us consider again, and now solve, the necklace problem that was mentioned in the discussion of De Bruijn s Theorem, namely, to enumerate necklaces of six beads of two colors, red and green, where the two colors can be interchanged. We shall ask only for the total number, and can therefore use a simpler (unweighted) form of the power group enumeration theorem which gives as the required number the expression... [Pg.114]

A certain dualism is observable in carbonium ion-carbanion chemistry, a dualism rather like that of lines and points in projective geometry. The reader may recall that interchanging the words "line and "point in a theorem of projective geometry converts it into a statement that is also a theorem, sometimes the same one. For most carbonium ion reactions a corresponding carbanion reaction is known. The dualism can be used as a method for the invention of new, or at least unobserved, carbanion reactions. The carbanionic reaction corresponding to the carbonium ion rearrangement is of course the internal nucleophilic... [Pg.227]

For example, Epq is the elementary matrix obtained by interchanging the pth and the qth rows of I. It can be shown that the elementary matrices possess inverses, and these are also elementary matrices. Now we are in position to recall the following matrix theorem (Noble, 1969). [Pg.41]

Thus, according to the criterion of Theorem 2, Subsection B, Y, Y belong to different IR s. This completes the proof of Theorem 1, stated above. By means of Theorem 1, we obtain a one-one correspondence (via the Young operators) between diagrams y and IR s 71 y T. We will sometimes refer to a representation and its diagram interchangeably. [Pg.30]

Equation (5.10) is a statement of Bayes theorem. Since the theorem is proved using results or axioms valid for both frequentist and Bayesian views, its use is not limited to Bayesian applications. Note that it relates 2 conditional probabilities where the events A and B are interchanged. [Pg.76]

In order to see how to apply this theorem we can consider the oriented Hopf link which was illustrated in Figure 5. We determined above that the P-polynomial of this oriented Hopf link L is P(L) = Z3m 1 + lm l - Im. If we interchange l and r1 we will obtain the polynomial P(JL) = / 3m-1 + - rlm. Since P(L) ... [Pg.11]

Applying the Wigner-Eckart theorem in all three spaces, we establish the property of SCFP in relation to interchanges of the spin and quasispin quantum numbers... [Pg.173]

The electric dipole approximation - or long-wavelength limit is obtained by taking k—> 0. For afinite path, C, Lebesgue s dominated convergence theorem justifies file interchange ofthe order ofintegration and the limit k h>0. so that... [Pg.19]

Theorem E — If there is an involutary permutation T commuting with H, then it corresponds to a spin-free point-group symmetry of + or - (-1)1 1 as Teither leaves invariant i l (and Y0) or interchanges the sites of ir1t and... [Pg.69]


See other pages where Interchange theorem is mentioned: [Pg.7]    [Pg.7]    [Pg.76]    [Pg.532]    [Pg.26]    [Pg.1204]    [Pg.369]    [Pg.121]    [Pg.375]    [Pg.7]    [Pg.7]    [Pg.76]    [Pg.532]    [Pg.26]    [Pg.1204]    [Pg.369]    [Pg.121]    [Pg.375]    [Pg.108]    [Pg.109]    [Pg.115]    [Pg.226]    [Pg.204]    [Pg.68]    [Pg.231]    [Pg.93]    [Pg.117]    [Pg.405]    [Pg.235]    [Pg.235]    [Pg.529]    [Pg.11]    [Pg.33]    [Pg.262]    [Pg.94]   
See also in sourсe #XX -- [ Pg.7 ]

See also in sourсe #XX -- [ Pg.1204 , Pg.1206 ]




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