next up previous
Next: Deriving the Kinetic Energy Up: Separation of Motion Previous: Separation of Motion

Defining a New Coordinate System

As is illustrated in Figure 3, a new, molecule-fixed coordinate system must be developed. First, a vector,tex2html_wrap_inline401, which points from our external, lab fixed coordinate system to the center of mass of our molecule. This point, O, will be the origin in our molecule-fixed coordinate system. The rotation of the molecule-fixed coordinate system will also be described by three Eulerian angles, tex2html_wrap_inline405, tex2html_wrap_inline407, and tex2html_wrap_inline409. Another vector starting at O, tex2html_wrap_inline413, points to the current position of atom tex2html_wrap_inline415. The equilbrium position of atom tex2html_wrap_inline415 is indicated by tex2html_wrap_inline419. This permits a displacement vector, tex2html_wrap_inline421, to be defined as follows:
displaymath397
The total velocity of the tex2html_wrap_inline415 atom can be defined as:
displaymath398
Where tex2html_wrap_inline425 is the rotational velocity of the axis system.



CCQC WWW repository
Tue Aug 12 10:50:18 EDT 1997