Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
91 (1989), S. 5444-5450
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
We show that an invariance of a system of N particles simplifies the solution of the classical equations of motion.A transformation can be constructed in a straightforward manner to yield a set of active and redundant coordinates in which Hamilton's equations are separable. That is, the redundant coordinates are cyclic and the kinetic energy is block diagonal between the two sets. Furthermore, the active coordinates have properties very similar to the parent Cartesian coordinates; e.g., the derivatives of the Hamiltonian remain unchanged. The numerical application of the procedure is very straightforward; we have performed trajectories of symmetric motions of an A2B-type molecule within the subspace of the C2v configurations.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.457545
| Library |
Location |
Call Number |
Volume/Issue/Year |
Availability |
