Title | Ab Initio Molecular Dynamics: Propagating the Density Matrix with Gaussian Orbitals. III. Comparison with Born-Oppenheimer Dynamics |
Publication Type | Journal Article |
Year of Publication | 2002 |
Authors | Schlegel, HB, Iyengar, SS, Li, X, Millam, JM, Voth, GA, Scuseria, GE, Frisch, MJ |
Journal | J. Chem. Phys. |
Volume | 117 |
Pagination | 8694-8704 |
DOI | 10.1063/1.1514582 |