Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals. II. Generalizations based on mass-weighting, idempotency, energy conservation and choice of initial conditions
Year: 2001
Type: article
Source: The Journal of Chemical Physics
DOI: 10.1063/1.1416876
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: closed
OpenAlex ID: W1994972108
