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Vector cartesian components

The long-range interactions between a pair of molecules are detemiined by electric multipole moments and polarizabilities of the individual molecules. MuJtipoJe moments are measures that describe the non-sphericity of the charge distribution of a molecule. The zeroth-order moment is the total charge of the molecule Q = Yfi- where q- is the charge of particle and the sum is over all electrons and nuclei in tlie molecule. The first-order moment is the dipole moment vector with Cartesian components given by... [Pg.187]

These coupling elements are 3(lVnu — l)-dimensional vectors. If the Cartesian components of Rx in 3(A u — 1) space-fixed nuclear congifuration space are... [Pg.186]

The creation terms embody the changes in momentum arising from external forces in accordance with Newton s second law (F = ma). The body forces arise from gravitational, electrostatic, and magnetic fields. The surface forces are the shear and normal forces acting on the fluid diffusion of momentum, as manifested in viscosity, is included in these terms. In practice the vector equation is usually resolved into its Cartesian components and the normal stresses are set equal to the pressures over those surfaces through which fluid is flowing. [Pg.108]

Velocity The term kinematics refers to the quantitative description of fluid motion or deformation. The rate of deformation depends on the distribution of velocity within the fluid. Fluid velocity v is a vector quantity, with three cartesian components i , and v.. The velocity vector is a function of spatial position and time. A steady flow is one in which the velocity is independent of time, while in unsteady flow v varies with time. [Pg.631]

In order to apply quantum-mechanical theory to the hydrogen atom, we first need to find the appropriate Hamiltonian operator and Schrodinger equation. As preparation for establishing the Hamiltonian operator, we consider a classical system of two interacting point particles with masses mi and m2 and instantaneous positions ri and V2 as shown in Figure 6.1. In terms of their cartesian components, these position vectors are... [Pg.157]

The center of mass of the two-particle system is located by the vector R with cartesian components, X, Y, Z... [Pg.157]

The concept of affine deformation is central to the theory of rubber elasticity. The foundations of the statistical theory of rubber elasticity were laid down by Kuhn (JJ, by Guth and James (2) and by Flory and Rehner (3), who introduced the notion of affine deformation namely, that the values of the cartesian components of the end-to-end chain vectors in a network vary according to the same strain tensor which characterizes the macroscopic bulk deformation. To account for apparent deviations from affine deformation, refinements have been proposed by Flory (4) and by Ronca and Allegra (5) which take into account effects such as chain-junction entanglements. [Pg.279]

The inversion operator i acts on the electronic coordinates (fr = —r). It is employed to generate gerade and ungerade states. The pre-exponential factor, y is the Cartesian component of the i-th electron position vector (mf. — 1 or 2). Its presence enables obtaining U symmetry of the wave function. The nonlinear parameters, collected in positive definite symmetric 2X2 matrices and 2-element vectors s, were determined variationally. The unperturbed wave function was optimized with respect to the second eigenvalue of the Hamiltonian using Powell s conjugate directions method [26]. The parameters of were... [Pg.154]

Cartesian components of Q. We will also indicate the three scalar coordinates associated with each Q vector by the notation where i = 1,... and 5 = 1,..., 3. For the — 1 bond vectors we dehne... [Pg.80]

Cartesian coordinates is a product of N — 1 Jacobians for the local transformations from polar to Cartesian components for each bond vector Q for j < — 1, times the Jacobian det[A ]p = 1 for the transformation of Q... [Pg.80]

M = (Mx,My,M ) is the dipole moment of the system. Moreover, the indices i, j designate the Cartesian components x, y, z of these vectors, ()q realizes an averaging over all possible realizations of the optical field E, and () realizes an averaging over the states of the nonperturbed liquid sample. Two three-time correlation functions are present in Eq. (4) the correlation function of E(t) and the correlation function of the variables/(q, t), M(t). Such objects are typical for statistical mechanisms of systems out of equilibrium, and they are well known in time-resolved optical spectroscopy [4]. The above expression for A5 (q, t) is an exact second-order perturbation theory result. [Pg.10]

In tensor notation the three Cartesian directions x, y, and z are designated by suffixed variables i,j, k, l, etc. (Landau and Lifshitz 1970 Auld 1973). Thus the force acting per unit area on a surface may be described as a traction vector with components rj j = x, y, z. The stress in an infinitesimal cube volume element may then be described by the tractions on three of the faces, giving nine elements of stress cry (i, j = x, y, z), where the first suffix denotes the normal to the plane on which a given traction operates, and the second suffix denotes the direction of a traction component. [Pg.78]

Next, we consider the case/(r) = r. Since Eq. (7) is not directly applicable to vector functions, we express the averages we need in terms of averages of the Cartesian components... [Pg.141]

In our notation, dt> designates the vector with the Cartesian components dnx dvr diiz. On the other hand, d3n = dvx dvy dv2 designates a volume element in velocity space boldface is not used for scalars. [Pg.29]

Our task here is to determine whether any of the three Cartesian components is nonzero. Since, in DAh the z vector transforms according to the AZu representation and a and y jointly according to the representation, we need to know whether either of the direct products, Blg x AZu x BZu or BiK x Eu x BZu contains the Aljt representation. It is a simple matter to show that the first one is equal to AlK while the second is equal to Eg. Thus, the <5— S transition is electric-dipole allowed with z polarization and forbidden for radiation with its electric vector in the xy plane. [Pg.113]

Irreducible Cartesian components Spherical components Compound operator made of vectors... [Pg.222]

Here, pa,- is the bead momentum vector and u(rm. f) = iyrV is the linear streaming velocity profile, where y = dux/dy is the shear strain rate. Doll s method has now been replaced by the SLLOD algorithm (Evans and Morriss, 1984), where the Cartesian components that couple to the strain rate tensor are transposed (Equation (11)). [Pg.80]

The angle gives the angle of rotation of the J vector around the BC bond. The Cartesian components of the rotational momentum vector are given by the three Eulerian angles 0, , and r/ as... [Pg.82]

Any Fock operator can be represented as a sum of the symmetric one and of a perturbation which includes both the dependence of the matrix elements on nuclear shifts from the equilibrium positions and the transition to a less symmetric environment due to the substitution. To pursue this, we first introduce some notations. Let hi be the supervector of the first derivatives of the matrix of the Fock operator with respect to nuclear shifts Sq counted from a symmetrical equilibrium configuration. By a supervector, we understand here a vector whose components numbered by the nuclear Cartesian shifts are themselves 10 x 10 matrices of the first derivatives of the Fock operator, with respect to the latter. Then the scalar product of the vector of all nuclear shifts 6q j and of the supervector hi yields a 10 x 10 matrix of the corrections to the Fockian linear in the nuclear shifts ... [Pg.302]

Here we introduce the notation ( . ..) for the scalar product of vectors whose components are numbered by the Cartesian shifts of the nuclei). Next, let h" be the supermatrix of the second derivatives of the matrix of the Fock operator with respect to the same shifts. As previously, we refer here to the supermatrix indexed by the pairs of nuclear shifts in order to stress that the elements of this matrix are themselves the 10 x 10 matrices of the corresponding second derivatives of the Fock operator with respect to the shifts. The contribution of the second order in the nuclear shifts can be given the form of the (super)matrix average over the vector of the nuclear shifts ... [Pg.302]

It has the same form as the cartesian components and the solution, = ke tmf describes rotation about the polar axis in terms of the orbital angular momentum vector LZ1 specified by the eigenvalue equation... [Pg.46]

A first-rank tensor operator 3 V) is also called a vector operator. It has three components, 2T and jH j. Operators of this type are the angular momentum operators, for instance. Relations between spherical and Cartesian components of first-rank tensor operators are given in Eqs. [36] and [37], Operating with the components of an arbitrary vector operator ( 11 on an eigenfunction u1fF) of the corresponding operators and 3 yields... [Pg.144]


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See also in sourсe #XX -- [ Pg.243 ]




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