--- trunk/tengDissertation/Methodology.tex 2006/06/29 23:00:35 2909 +++ trunk/tengDissertation/Methodology.tex 2006/06/29 23:56:11 2911 @@ -16,9 +16,9 @@ the last two decades. Matubayasi\cite{Matubayasi1999} Integration schemes for the rotational motion of the rigid molecules in the microcanonical ensemble have been extensively studied over -the last two decades. Matubayasi\cite{Matubayasi1999} developed a +the last two decades. Matubayasi developed a time-reversible integrator for rigid bodies in quaternion -representation. Although it is not symplectic, this integrator still +representation\cite{Matubayasi1999}. Although it is not symplectic, this integrator still demonstrates a better long-time energy conservation than Euler angle methods because of the time-reversible nature. Extending the Trotter-Suzuki factorization to general system with a flat phase @@ -74,8 +74,8 @@ rotates both the rotation matrix ($\mathsf{Q}$) and th / 2) \cdot \mathsf{G}_x(a_x /2), \end{equation} where each rotational propagator, $\mathsf{G}_\alpha(\theta)$, -rotates both the rotation matrix ($\mathsf{Q}$) and the body-fixed -angular momentum (${\bf j}$) by an angle $\theta$ around body-fixed +rotates both the rotation matrix $\mathsf{Q}$ and the body-fixed +angular momentum ${\bf j}$ by an angle $\theta$ around body-fixed axis $\alpha$, \begin{equation} \mathsf{G}_\alpha( \theta ) = \left\{