Quantum dynamics with Bohmian trajectories: energy conserving approximation to the quantum potential
β Scribed by Sophya Garashchuk; Vitaly A. Rassolov
- Book ID
- 104108301
- Publisher
- Elsevier Science
- Year
- 2003
- Tongue
- English
- Weight
- 190 KB
- Volume
- 376
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The Schr⬠o odinger equation can be solved in terms of quantum trajectories evolving under the influence of quantum potential. We present a method of computing the quantum potential by approximating the non-classical component of the momentum operator, such that the total energy of a closed system is conserved. A case of special interest is linearized quantum force with analytical parameters and correct average value. This method is computationally cheap and exact for locally quadratic potentials. We illustrate its efficiency and accuracy by computing the photodissociation spectrum of ICN and the wavepacket transition probability for H 3 in two dimensions.
π SIMILAR VOLUMES
The state-to-state cross sections for D t Hz(u= 1, j= 1 )+HD(u'= I, j' =O-13) +H are calculated at the (very high) total energy 1.8 eV both by quasiclassical trajectories and by a well-converged quantum dynamical variational calculation on the most accurate available potential energy surface. Result