Abstract:
The Phase shifts needed for the calculation of the transport properties of hard convex body (HCB) fluid in quantum mechanics is the solution of the radial wave equation described by the HCB coordinate systems. The radial wave equation described by HCB- coordinate system has been deduced and expressed for the pair intermolecular potential specified in terms of the function h(x) and surface-to-surface coordinate representation. The radial wave equation has been expressed in the reduced form.
Key Words:
Radial wave equation, HCB Coordinate System.
Introduction:
In quantum mechani cal calculation of the transport phenomena, the major problem is the evaluation of the Radial wave equation. The phase shifts is the solution of the radial wave equation. The expression for the radial wave equation of a HCB Model co-ordinate system has been described first and expressed for the pair intermolecular potential specified in terms of the function h(x) and surface-to-surface co-ordinate representation. The properties of hard convex bodies (HCB’s) necessary for our analysis are due to Kihara [1].
Expression for in t erms of HCB co-ordinate
Let us first assume that the convex body has a smooth surface and that each suppor ting plane has a contact of first order with the convex body. Let r ( ? , Ø) be the radius vector from the origin to the contact point of the body with the supporting plane in the direction ( ? , Ø). Then by use of the unit vector k ( ? , Ø) in the direction ( ? , Ø). So, the identity In terms of HCB’S co-ordinates The expression for in te rms of HCB’S co-ordinate system is
Radial Wave Equation
The radial wave equation described by the HCB co- ordinate system is obtained from the expression (2) by the method of separation of variables. This method results the expression in one variable. The method most commonly used work by removing one or more partial derivative terms so that an equation with fewer variables is obtained. This may be repeated until an ordinary differential equation in one variable result. The Schrodinger equation for two particles interacting according to a potential function Ø(k), may be written as |
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Thus for, the expression for in terms of the above identities, it is desirable to use the procedure for making the transformation from Cartesian coordinates to the required co-ordinate system. This is done by using the concept of orthogonal curvilinear co- ordinates. The expression for (Laplacian) in orthogonal curvilinear co-ordinates is given by
Where u 1 , u 2 and u 3 are called orthogonal curvilinear co-ordinates and h 1 , h2 and h 3 are called scale factors. The essential task is determing the explicit form of is that of determing the scale factors. The condition for this transformation is that the Jacobin
is non zero.
in which E is the total energy of the system.
g being the relative speed of the colliding pair before the collision take place and is the reduced mass. If we define J by h J = µ g, the Schrodinger equation assumes the form [2]
This equation will be solved by the method of separation of variables by putting
where Y (q, f ) are the spherical harmonics and Y (K) satisfy the radial wave Equation.
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