What dominates the error in the CaO diatomic bond energy predicted by various approximate exchange-correlation functionals?

Research output: Contribution to journalArticlepeer-review

14 Scopus citations

Fingerprint

Dive into the research topics of 'What dominates the error in the CaO diatomic bond energy predicted by various approximate exchange-correlation functionals?'. Together they form a unique fingerprint.

Engineering & Materials Science

Chemical Compounds

Physics & Astronomy