Timeline for What exactly is a potential energy surface?
Current License: CC BY-SA 4.0
4 events
| when toggle format | what | by | license | comment | |
|---|---|---|---|---|---|
| Oct 1, 2018 at 7:47 | vote | accept | meTchaikovsky | ||
| Oct 1, 2018 at 7:45 | answer | added | Feodoran | timeline score: 3 | |
| Oct 1, 2018 at 7:40 | comment | added | porphyrin | $\vec T_{nucleus}$ is the kinetic energy of the nucleus. Normally under BO approx. the equations are solved at a series of fixed nuclear $R$; this is what you describe initially and a PES results. If you want to describe motion over a PES during a reaction (dynamics) a common method is to use a LEPS (London-Eyring-Polyani-Sato) potential, which although empirical is based on known potentials obtained from spectroscopic experiments. See Steinfeld, Franscico, & Hase ' Chemical Kinetics & Dynamics' publ Prentice-Hall, or Hirst 'Molecular Structure & Reaction Dynamics'. | |
| Oct 1, 2018 at 6:46 | history | asked | meTchaikovsky | CC BY-SA 4.0 |