Lanean...
Can X-ray constrained Hartree–Fock wavefunctions retrieve electron correlation?
The X-ray constrained wavefunction (XC-WF) method proposed by Jayatilaka [Jayatilaka & Grimwood (2001) ▸, Acta Cryst. A57, 76–86] has attracted much attention because it represents a possible third way of theoretically studying the electronic structure of atoms and molecules, combining features...
Gorde:
| Argitaratua izan da: | IUCrJ |
|---|---|
| Egile Nagusiak: | , , , |
| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
International Union of Crystallography
2017
|
| Gaiak: | |
| Sarrera elektronikoa: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5330524/ https://ncbi.nlm.nih.gov/pubmed/28250952 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2052252516019217 |
| Etiketak: |
Etiketa erantsi
Etiketarik gabe, Izan zaitez lehena erregistro honi etiketa jartzen!
|