Multiwfn forum
Multiwfn official website: //www.umsyar.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn
You are not logged in.
- Topics:Active|Unanswered
Pages:1
#12024-07-23 22:26:12
- Alexey
- Member
- Registered: 2024-06-28
- Posts: 15
ELF, LOL, laplacian
Hi everyone! Please recommend literature that reviews the topological analysis of the ELF, LOL and Laplacian functions. The meaning of the critical points (3;+1), (3;-1) and (3;+3) in the context of these functions is not entirely clear
Offline
#22024-07-25 13:08:32
Re: ELF, LOL, laplacian
See
(1) "The ELF Topological Analysis Contribution to Conceptual Chemistry and Phenomenological Models" in book "The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design"
(2) Struct Bond (2016) 170: 213–248
My work "Revealing Molecular Electronic Structure via Analysis of Valence Electron Density" (http://www.whxb.pku.edu.cn/EN/10.3866/PKU.WHXB201709252) also contains application example of topology analysis of ELF.
Offline
Pages:1