Components Cartesian

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... 

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... 

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. 

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. 

Cauchy Momentum and Navier-Stokes Equations The differential equations for conservation of momentum are called the Cauchy momentum equations. These may be found in general form in most fliiid mechanics texts (e.g., Slatteiy [ibid.] Denu Whitaker and Schlichting). For the important special case of an incompressible Newtonian fluid with constant viscosity, substitution of Eqs. (6-22) and (6-24) lead to the Navier-Stokes equations, whose three Cartesian components are... 

The scalars x, y and z are called the Cartesian components (or coordinates) of point P. 

The Cartesian components of the permanent dipole and the polarizabihty can therefore be written equivalently... 

It is taken into account that relaxation of different Cartesian components of a>Xl proceeds independently, and (coa,)=0. One can easily see that every cumulant in (Al.lb) when integrated yields the corresponding power of Ta i.e., of rotational relaxation time of the oc th component. Therefore,... 

Thus coefficients with an even total order I + m + n are real and coefficients with an odd total order I m + n are pure imaginary. In the following we consider only dipole hyperpolarizabilities. In this case the four operators A, B, C and D are cartesian components of the dipole operator and the odd dispersion coefficients vanish. 

Details of the extended triple zeta basis set used can be found in previous papers [7,8]. It contains 86 cartesian Gaussian functions with several d- and f-type polarisation functions and s,p diffuse functions. All cartesian components of the d- and f-type polarization functions were used. Cl wave functions were obtained with the MELDF suite of programs [9]. Second order perturbation theory was employed to select the most energetically double excitations, since these are typically too numerous to otherwise handle. All single excitations, which are known to be important for describing certain one-electron properties, were automatically included. Excitations were permitted among all electrons and the full range of virtuals. 

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... 

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

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. 

Here, //ei is the electronic Hamiltonian including the nuclear-nuclear repulsion terms, Pji is a Cartesian component of the momentum, and M/ the mass of nucleus /. One should note that the bra depends on z while the ket depends on z and that the primed R and P equal their unprimed counterparts and the prime simply denotes that they belong to the bra. 

In quantum mechanics, 1 is an operator whose Cartesian components satisfy the commutation relations... 

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