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Joint refinement model for the spin resolved one-electron reduced density matrix of YTiO
- Source :
- The Journal of chemical physics. 148(16)
- Publication Year :
- 2018
-
Abstract
- In this paper, we propose a simple cluster model with limited basis sets to reproduce the unpaired electron distributions in a YTiO
Details
- ISSN :
- 10897690
- Volume :
- 148
- Issue :
- 16
- Database :
- OpenAIRE
- Journal :
- The Journal of chemical physics
- Accession number :
- edsair.pmid..........5742cb7a34dfead494ecc60c883ca40c