Essentials of relativistic quantum chemistry.


Journal

The Journal of chemical physics
ISSN: 1089-7690
Titre abrégé: J Chem Phys
Pays: United States
ID NLM: 0375360

Informations de publication

Date de publication:
14 May 2020
Historique:
entrez: 17 5 2020
pubmed: 18 5 2020
medline: 18 5 2020
Statut: ppublish

Résumé

Relativistic quantum chemistry has evolved into a fertile and large field and is now becoming an integrated part of mainstream chemistry. Yet, given the much-involved physics and mathematics (as compared with nonrelativistic quantum chemistry), it is still necessary to clean up the essentials underlying the relativistic electronic structure theories and methodologies (such that uninitiated readers can pick up quickly the right ideas and tools for further development or application) and meanwhile pinpoint future directions of the field. To this end, the three aspects of electronic structure calculations, i.e., relativity, correlation, and QED, will be highlighted.

Identifiants

pubmed: 32414273
doi: 10.1063/5.0008432
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

180901

Auteurs

Wenjian Liu (W)

Qingdao Institute for Theoretical and Computational Sciences, Shandong University, Qingdao, Shandong 266237, People's Republic of China.

Classifications MeSH