Density matrix search using direct inversion in the iterative subspace as a linear scaling alternative to diagonalization in electronic structure calculations

✍ Scribed by Li, Xiaosong; Millam, John M.; Scuseria, Gustavo E.; Frisch, Michael J.; Schlegel, H. Bernhard

• Book ID: 127344889
• Publisher: American Institute of Physics
• Year: 2003
• Tongue: English
• Weight: 258 KB
• Volume: 119
• Category: Article
• ISSN: 0021-9606
• DOI: 10.1063/1.1607961