Testing the TPSS meta-generalized-gradient-approximation exchange-correlation functional in calculations of transition states and reaction barriers

✍ Scribed by Kanai, Yosuke; Wang, Xiaofei; Selloni, Annabella; Car, Roberto

• Book ID: 120383595
• Publisher: American Institute of Physics
• Year: 2006
• Tongue: English
• Weight: 649 KB
• Volume: 125
• Category: Article
• ISSN: 0021-9606
• DOI: 10.1063/1.2403861