Skip to Main content Skip to Navigation
Journal articles

Relativistic Hamiltonians for Chemistry : A Primer

Trond Saue 1, * 
* Corresponding author
1 GMO - Groupe Méthodes et outils de la chimie quantique (LCPQ)
LCPQ - Laboratoire de Chimie et Physique Quantiques
Abstract : Entering Dirac territory: This Minireview provides a guide to two- and four-component relativistic Hamiltonians for use in quantum chemistry with particular emphasis on the recently developed eXact two-component (X2C) Hamiltonian.
Document type :
Journal articles
Complete list of metadata

Cited literature [136 references]  Display  Hide  Download

https://hal.archives-ouvertes.fr/hal-00662643
Contributor : Trond Saue Connect in order to contact the contributor
Submitted on : Monday, July 20, 2020 - 2:00:03 PM
Last modification on : Monday, July 4, 2022 - 8:50:22 AM
Long-term archiving on: : Tuesday, December 1, 2020 - 1:32:55 AM

File

art.pdf
Files produced by the author(s)

Identifiers

Citation

Trond Saue. Relativistic Hamiltonians for Chemistry : A Primer. ChemPhysChem, Wiley-VCH Verlag, 2011, 12 (17), pp.3077-3094. ⟨10.1002/cphc.201100682⟩. ⟨hal-00662643⟩

Share

Metrics

Record views

153

Files downloads

594