𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Zero-Point Energy Constraint in Quasi-classical Trajectory Calculations †

✍ Scribed by Xie, Zhen; Bowman, Joel M.


Book ID
127294072
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
156 KB
Volume
110
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Some problems of correcting the zero-poi
✍ Thomas D. Sewell; Donald L. Thompson; J.Daniel Gezelter; William H. Miller 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 508 KB

We have examined the effects on the fundamental behavior of the dynamics of applying constraints to control the aphysical flow of zero-point energy in classical trajectories of molecular systems. Test calculations on the popular Henon-Heiles potential surface show that these costraints can induce ph