Density Functional Theory versus Complete Active Space Self-Consistent Field Investigation of the Half-Metallic Character of Graphite-Like and Amorphous Carbon Nanoparticles

✍ Scribed by Khavryuchenko, Oleksiy V.; Khavryuchenko, Volodymyr D.; Peslherbe, Gilles H.

• Book ID: 126555568
• Publisher: American Chemical Society
• Year: 2014
• Tongue: English
• Weight: 949 KB
• Volume: 118
• Category: Article
• ISSN: 1089-5639
• DOI: 10.1021/jp502207n