| Literature DB >> 23406098 |
Sophya Garashchuk1, Vaibhav Dixit, Bing Gu, James Mazzuca.
Abstract
Similarity of equations of motion for the classical and quantum trajectories is used to introduce a friction term dependent on the wavefunction phase into the time-dependent Schrödinger equation. The term describes irreversible energy loss by the quantum system. The force of friction is proportional to the velocity of a quantum trajectory. The resulting Schrödinger equation is nonlinear, conserves wavefunction normalization, and evolves an arbitrary wavefunction into the ground state of the system (of appropriate symmetry if applicable). Decrease in energy is proportional to the average kinetic energy of the quantum trajectory ensemble. Dynamics in the high friction regime is suitable for simple models of reactions proceeding with energy transfer from the system to the environment. Examples of dynamics are given for single and symmetric and asymmetric double well potentials.Mesh:
Year: 2013 PMID: 23406098 DOI: 10.1063/1.4788832
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488