Comparison of convetional and hybrid density functional approaches. Cationic hydrides of first-row transition metals as a case study

Chemical Physics Letters

Volumn 249, Issue 3-4, 1996, Pages 290-296

  Barone, Vincenzo ^a   Adamo, Carlo ^b   Mele, Franca ^c  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^b UNIVERSITY OF BASILICATA   (Italy)

^c UNIVERSITY OF CALABRIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030562081     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(95)01382-2     Document Type: Article

References (39)

1. Positive ions of the first- and second-row transition metal hydrides
2. Bond energies for cationic bare metal hydrides of the first transition series: a challenge to density functional theory
3. Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
4. Fully optimized contracted Gaussian basis sets for atoms Li to Kr
5. Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
6. Gaussian Basis Set for Molecular Wavefunctions Containing Third-Row Atoms
7. Self-consistent implementation of nonlocal exchange and correlation in a Gaussian density-functional method
8. Energy Levels of Copper, Cu i through Cu xxix