Loading...
MP2-IQA: upscaling the analysis of topologically partitioned electron correlation
When electronic correlation energy is partitioned topologically, a detailed picture of its distribution emerges, both within atoms and between any two atoms. This methodology allows one to study dispersion beyond its more narrow definition in long-range Rayleigh-Schrödinger perturbation theory. The...
Na minha lista:
| Udgivet i: | J Mol Model |
|---|---|
| Main Authors: | , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Springer Berlin Heidelberg
2018
|
| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6061063/ https://ncbi.nlm.nih.gov/pubmed/29995194 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-018-3717-5 |
| Tags: |
Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!
|