Work

Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals. III. Comparison with Born–Oppenheimer dynamics

Year: 2002

Type: article

Source: The Journal of Chemical Physics

DOI: 10.1063/1.1514582

Authors: H. Bernhard Schlegel, Srinivasan S. Iyengar, Xiaosong Li, John M. Millam, Gregory A. Voth, Gustavo E. Scuseria, Michael J. Frisch

Institutions: Wayne State University, University of Utah, Rice University, Gaussian, Inc. (United States)

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: closed

Funders: National Science Foundation, University of Utah, Gaussian, Office of Naval Research

OpenAlex ID: W1976960884

FWCI: 6.239

Cites: 90

Cited by: 530

Related to: 10