Self-consistent trajectories for surface scattering via classical-quantal coupling

K. J. Schafer, J. D. Garcia, Nai-Hang Kwong

Research output: Contribution to journalArticle

14 Citations (Scopus)

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 languageEnglish (US)
Pages (from-to)1872-1876
Number of pages5
JournalPhysical Review B
Volume36
Issue number4
DOIs
StatePublished - 1987

Fingerprint

Surface scattering
Hamiltonians
Wave functions
Momentum
Trajectories
trajectories
Scattering
Atoms
scattering
wave functions
momentum
collisions
energy
electronics
atoms
simulation

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Self-consistent trajectories for surface scattering via classical-quantal coupling. / Schafer, K. J.; Garcia, J. D.; Kwong, Nai-Hang.

In: Physical Review B, Vol. 36, No. 4, 1987, p. 1872-1876.

Research output: Contribution to journalArticle

Schafer, K. J. ; Garcia, J. D. ; Kwong, Nai-Hang. / Self-consistent trajectories for surface scattering via classical-quantal coupling. In: Physical Review B. 1987 ; Vol. 36, No. 4. pp. 1872-1876.
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