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Molecular dynamics with quantum heat baths: Application to nanoribbons and nanotubes

✍ Scribed by Wang, Jian-Sheng; Ni, Xiaoxi; Jiang, Jin-Wu

Book ID
115518522
Publisher
The American Physical Society
Year
2009
Tongue
English
Weight
262 KB
Volume
80
Category
Article
ISSN
1098-0121

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πŸ“œ SIMILAR VOLUMES

Quantum dynamics with Lanczos subspace p
Quantum dynamics with Lanczos subspace propagation: Application to a laser-driven molecular system
✍ Chona S. Guiang; Robert E. Wyatt πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 236 KB

Two Lanczos subspace propagation techniques are discussed in this work and compared with the Chebyshev method applied to the original Hamiltonian matrix. Both procedures involve the use of a reduced propagator in the Lanczos subspace to calculate the solution to the time-dependent Schrodinger equati