The generalized angular momentum crossing relation
β Scribed by D.B Fairlie; M.T Noga
- Publisher
- Elsevier Science
- Year
- 1970
- Tongue
- English
- Weight
- 492 KB
- Volume
- 56
- Category
- Article
- ISSN
- 0003-4916
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
In this article we observe that generally symplectic integrators conserve angular momentum exactly, whereas nonsymplectic integrators do not. We show that this observation extends to multiple timesteps and to constrained dynamics. Both of these devices are important for efficient molecular dynamics
We have studied the O Ο© OH 4 O 2 Ο© H reaction on Varandas's DMBE IV potential using a variety of statistical methods, all involving the RRKM assumption for the HO complex. \* 2 Comparing our results using microcanonical variational transition-state theory (VT) with those using microcanonical/fixed-