Abstract
We present a set of coupled Schrödinger-Hamiltonian equations that may be solved to give self-consistent classical trajectories and quantal wave functions while conserving total energy and momentum during time-dependent simulations of electronic systems. As a first nontrivial application, we examine the collision of an atom with an infinite barrier. Our results clearly demonstrate the necessity for and importance of classical-quantal coupling in low-energy scattering.
Original language | English (US) |
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Pages (from-to) | 1872-1876 |
Number of pages | 5 |
Journal | Physical Review B |
Volume | 36 |
Issue number | 4 |
DOIs | |
State | Published - 1987 |
ASJC Scopus subject areas
- Condensed Matter Physics