Multiwfn forum
Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn
You are not logged in.
- Topics: Active | Unanswered
#1 2018-05-23 05:36:03
- DanielRounds
- Member
- Registered: 2018-05-23
- Posts: 2
How to find electron density?
I want to know more about electron density.I know that electron density is a measure of the probability of an electron being present at a specific location.In molecules regions of electron density are usually found around atoms and its bonds.I searched write my essay to find solution to this problem.I want to know more details.How to find electron density?What are the possible ways to find it?
Last edited by DanielRounds (2018-05-23 05:36:44)
Offline
#2 2018-05-23 12:12:33
Re: How to find electron density?
Electron density (ED) is a three-dimension function, it can be easily calculated and characterized by Multiwfn. There are numerous ways to study electron density distribution, such as calculating ED at a point, plotting ED as curve map, plane map or isosurface map, evaluating integral of ED in atomic space (known as electron population number).
Offline