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Zero product functions

If, in a vector space of an infinite number of dimensions the components Ai and Bi become continuously distributed and everywhere dense, i is no longer a denumerable index but a continuous variable (x) and the scalar product turns into an overlap integral f A(x)B(x)dx. If it is zero the functions A and B are said to be orthogonal. This type of function is more suitable for describing wave motion. [Pg.111]

The operators Fk(t) defined in Eq.(49) are taken as fluctuations based on the idea that at t=0 the initial values of the bath operators are uncertain. Ensemble averages over initial conditions allow for a definite specification of statistical properties. The statistical average of the stochastic forces Fk(t) is calculated over the solvent effective ensemble by taking the trace of the operator product pmFk (this is equivalent to sum over the diagonal matrix elements of this product), so that = Trace(pmFk) is identically zero (Fjk(t)=Fk(t) in this particular case). The non-zero correlation functions of the fluctuations are solvent statistical averages over products of operator forces,... [Pg.309]

The process simplification VIP does far more than just evaluate and simplify processing steps. This very productive VIP ensures that low- or zero-value functions or equipment included in the project scope are challenged by experienced world-class experts and eliminated, if possible. This VIP tries to systematically differentiate wants from needs and remove the wants. It can be especially effective for providing a neutral professional environment for identifying and challenging sacred cows and then removing them. Removal of these low- or zero-value functions yields significant profitability improvements to the overall project. Process simplification results in... [Pg.50]

The trivial steady-state, C)2, simply means that both p(C,) and r(C,) are zero if the concentration C, is zero. The second solution, C 2J, makes sense only if kp > kr otherwise C- would be negative, that is, the production function would never exceed the decay function and the concentration would always fall back to zero. [Pg.975]

Antisymmetrized function (10.8) has the property that if any two one-electron functions are identical, then xp is identically zero (satisfying the Pauli exclusion principle). Its second very important property if any two electrons lie at the same position, e.g., ri = r2 (and they also have parallel spins Si = S2), then P = 0. As the functions

spatial variables (r,9,with parallel spin are close together. Thus, unlike the single product function, the antisymmetrized sum of product functions (10.8) shows a certain degree of electron correlation. This correlation is incomplete - it arises by virtue of the Pauli exclusion principle rather than as a result of electrostatic repulsion, and there is no correlation at all between two electrons with antiparallel spins [16]. [Pg.88]

Fig. 67 Modeling of the spin-admixed system 6Aig - 4A2g. Left Energy levels in the zero field. Centre components of the product function for Az/hc = 500 cur1, /he = 460 cm-1, gx=gz = 2.0. Right effect of the energy gap to the effective magnetic moment... Fig. 67 Modeling of the spin-admixed system 6Aig - 4A2g. Left Energy levels in the zero field. Centre components of the product function for Az/hc = 500 cur1, /he = 460 cm-1, gx=gz = 2.0. Right effect of the energy gap to the effective magnetic moment...
The DEA model estimates an empirical production function which achieves the highest value of outputs that could be generated based on the input-output vectors of the DMUs analyzed. The efficiency of an individual DMU is measured by the distance of its input-output combination to this production function. An individual DMU is enveloped from above if the model can identify a combination of other output vectors for the same input vector that is at least as good as the one of the DMU considered for all output factors. Analogous it is enveloped from below if the model can identify a combination of other input vectors for the same output vector that requires less than or the same amounts of inputs as the one of the DMU considered. If a DMU cannot be enveloped by a combination of other DMUs it is efficient. In this case the measure of efficiency E takes on a value of 1 and the slack variables are zero. For inefficient DMUs the value of the efficiency measure indicates the extent to which all outputs could be increased or all inputs be decreased and the slack factors provide the absolute units by which specific inputs could be decreased/outputs increased in addition to the general increase/decrease if the DMU were to be brought to efficient performance levels. These improvements are only indicative of potential improvements because the projection to the efficient frontier can also be based on a virtual DMU.43... [Pg.149]

In the limit at which /cm goes to zero, these functions reduce to the correct form for dipolar fluctuations only. It is the product of these times e 2VpZ+i i that must be integrated over dir and pdp to obtain the interaction of the two arrays A and B. We know in advance that it is the second and third derivatives with respect to l that give us at-an-angle and parallel rod-rod interactions. The second derivative creates a factor 4 (p2 + k ). [Pg.357]

Each part can also be put separately equal to zero, so that in fact two wave equations for two separate hydrogen atoms are obtained so that the product function appears to have been chosen correctly. [Pg.136]

We shall defer a discussion of symmetry until Section 6.11. The other operator is Fz, which was defined in Eq. 6.2. Because a and /3 are eigenfunctions of Iz, the product functions are eigenfunctions of F,. By using the well-established commutation rules for angular momentum, it can be shown that Fz and X commute, so Eq. 6.20 is applicable. For the two-spin case, Eq. 6.1 shows that the four basis functions are classified according to Fz = 1, 0, or —1. Only (f)2 and 3, which have the same value of Fz, can mix. Thus only X23 and X-i2 might be nonzero all 10 other off-diagonal elements of the secular equation are clearly zero and need not be computed. [Pg.151]

The zero-order product functions, IMq Lq) for the ground state and IM, Lq) for the excited d-d or f—f electronic state of the metal ion in the complex, require an augmentation with additional functions of the set for correction to first-order. The latter are either other metal ion functions, e.g. IM Lq), which is the course adopted in crystal field theory, or other ligand functions, e.g. Mq Lj) and IMg L ), as is assumed in the ligand polarization treatment. The two procedures are mutually exclusive to first-order, on account of the one-electron character of the transition moment operators, although the results of the two treatments are additive in a general independent-systems representation. [Pg.50]

The electron-electron interaction is in the 1 IF method treated within the model of independent electrons. Within this approximation each electron moves in the average potential of other electrons. As a consequence, there is a non-zero probability that two electrons arc located at the same point in the space. Error resulting from this approximation is known as a correlation energy. The advantage of the model of independent electrons is that it allows to search for a wavefunction in the form of the product of one-electron functions (orbitals). Instead of a simple product function the Slater determinant is used in order to maintain anti-symmetry of the wavefunction. The solution of an n-electron Schrodinger equation can then be found in... [Pg.245]

The ability to assign a group of resonance states, as required for mode-specific decomposition, implies that the complete Hamiltonian for these states is well approximated by a zero-order Hamiltonian with eigenfunctions i(m) [58]. The ( ). are product functions of a zero-order orthogonal basis for the reactant molecule and the quantity m represents the quantum numbers defining (j). . The wavefunctions for the compound state resonances are given by... [Pg.1030]

Let us carry out a modelling for the linear cluster MnII-CuI,-Mn11 SMn = 5/2 and SCu = 1/2 with /Cu Mn = J and JMn Mn = 0- The zero-field energies and the molecular-state g-factors are collected in Table 11.8. The corresponding plot of the product function is shown in Fig. 11.3. For an antiferromag-... [Pg.751]

It can be shown that this integral is non-zero if the product function is a basis for the totally symmetric representation of the group (or of a... [Pg.229]

This result is a consequence of the existence of two independent functions from each of eig and e2 thus the product of them gives four independent functions. The first excited configuration of benzene gives rise to three spatial states that are accidentally degenerate to the approximation of zero electronic interactions. The formal method for obtaining the correct linear combinations of the product functions from purely symmetry arguments is straightforward. The direct product matrices Dj Jl(R) formed from the eig and 2u matrices and... [Pg.102]

The reliability of a component or system can be defined as the probability that a functioning product at time zero will function in the desired service environment for a specified amount of time. Without these three parameters, the question Is x reliable cannot be answered yes or no. Since reliability describes the probability that the product is still functioning, it is related to the cumulative number of failures. Mathematically, the reliability of an object at time r can be stated as... [Pg.1318]

The total wavefimction for an electron in the hydrogen atom, or in any other electronic system, must result from a combination of atomic orbitals and spin wavefunctions. The appropriate combination is a product because the probabilistic interpretation requires that a total wavefimction must be zero whenever any of its parts is zero. The product function is called a spin-orbital. For example, the single electron in the Is orbital of hydrogen may be described by two such spin-orbitals ... [Pg.65]

There is another important property revealed by the Slater determinant construction. If there are two identical spin-orbitals, then there will be two identical columns in the Slater determinant. It is a property of determinants that their value is zero when two columns are identical. Thus, if we consider two different electrons to be in the same spin-orbital in an original product function (Equation 10.47), anti-symmetrization (e.g., construction of the corresponding Slater determinant) will produce zero Such a wavefunction is not permitted. Thus, antisymmetrization leads to a requirement that only one electron occupy a particular spin-orbital. This is a way of stating the Pauli exclusion principle. [Pg.317]

Standard-state fugacities at zero pressure are evaluated using the Equation (A-2) for both condensable and noncondensable components. The Rackett Equation (B-2) is evaluated to determine the liquid molar volumes as a function of temperature. Standard-state fugacities at system temperature and pressure are given by the product of the standard-state fugacity at zero pressure and the Poynting correction shown in Equation (4-1). Double precision is advisable. [Pg.308]

To avoid having the wave function zero everywhere (an unacceptable solution ), the spin orbitals must be fundamentally difl erent from one another. For example, they cannot be related by a constant factor. You can write each spin orbital as a product of a space function W hich depen ds on ly on the x, y, and z. coordin ates of th e electron—and a spin fun ction. The space function is usually called themolecnlarorbitah While an in finite number of space functions are possible, only two spin funclions are possible alpha and beta. [Pg.36]


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