Consequences of Spin Contamination in Unrestricted Calculations on Open-Shell Species: Effect of Hartree−Fock and Møller−Plesset Contributions in Hybrid and Double-Hybrid Density Functional Theory Approaches †

✍ Scribed by Menon, Ambili S.; Radom, Leo

• Book ID: 120182656
• Publisher: American Chemical Society
• Year: 2008
• Tongue: English
• Weight: 94 KB
• Volume: 112
• Category: Article
• ISSN: 1089-5639
• DOI: 10.1021/jp803064k