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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

✍ Scribed by Iyengar, Srinivasan S.; Schlegel, H. Bernhard; Millam, John M.; A. Voth, Gregory; Scuseria, Gustavo E.; Frisch, Michael J.


Book ID
118059480
Publisher
American Institute of Physics
Year
2001
Tongue
English
Weight
360 KB
Volume
115
Category
Article
ISSN
0021-9606

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