Consistency of local density approximations and quantum corrections for time-dependent quantum systems

ABSTRACT

Time-dependent quantum systems are the subject of intense inquiry, in mathematics, science, and engineering, particularly at the atomic and molecular levels. In 1984, Runge and Gross introduced time-dependent density functional theory, a non-interacting electron model, which predicts charge exactly. An exchange-correlation potential is included in the Hamiltonian to enforce this property. We have previously investigated such systems on bounded domains for Kohn–Sham potentials by use of evolution operators and fixed point theorems. In this article, motivated by usage in the physics community, we consider local density approximations (LDA) for building the exchange-correlation potential, as part of a set of quantum corrections. Existence and uniqueness of solutions are established separately within a framework for general quantum corrections, including time-history corrections and ionic Coulomb potentials, in addition to LDA potentials. In summary, we are able to demonstrate a unique weak solution, on an arbitrary time interval, for a general class of quantum corrections, including those typically used in numerical simulations of the model.

COMMUNICATED BY:

• Siegfried Carl

KEYWORDS:

• Time-dependent quantum systems
• time-history
• quantum corrections
• local density approximation
• smoothing

AMS SUBJECT CLASSIFICATIONS:

• 35Q41
• 81Q05

View correction statement:

Correction

Disclosure statement

No potential conflict of interest was reported by the author.