Lyapunov instability of rigid diatomic molecules in three dimensions: a simpler method.
We present a method to calculate Lyapunov exponents of rigid diatomic molecules in three dimensions ( 12N -dimensional phase space). The spectra of Lyapunov exponents are obtained for 32 rigid diatomic molecules interacting through the Weeks-Chandler-Anderson potential for various bond length and densities, and compared with those of Shin [Phys. Rev. E 64, 041106 (2001)]. Our algorithm is easy to implement and total CPU time is relatively inexpensive.
Choe
Seungho
S
Department of Mechanical Engineering, University of Michigan, 2350 Hayward Street, Ann Arbor, Michigan 48109, USA.
Lee
Eok-Kyun
EK