Density matrix search using direct inversion in the iterative subspace as a linear scaling alternative to diagonalization in electronic structure calculations
Li, Xiaosong, Millam, John M., Scuseria, Gustavo E., Frisch, Michael J., Schlegel, H. BernhardVolume:
119
Year:
2003
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.1607961
File:
PDF, 258 KB
english, 2003