pith. sign in

arxiv: 1503.00248 · v1 · pith:BSEHC7QKnew · submitted 2015-03-01 · ⚛️ physics.chem-ph · quant-ph

Explicit solver for the electronic V-representation problem

classification ⚛️ physics.chem-ph quant-ph
keywords numericaltddftv-representabilityexplicitresultssolversystemstime
0
0 comments X
read the original abstract

One route to numerically propagating quantum systems is time dependent density functional theory (TDDFT). The application of TDDFT to a particular system's time evolution is predicated on V-representability which we have analyzed in a previous publication. In this work, we provide new insights concerning lattice V-representability using an newly developed explicit solver for the time-dependent Kohn-Sham potential which contrast with implicit solvers studied in the past few years. We present and interpret the force-balance equation central to our numerical method, describe details of its implementation, and present illustrative numerical results. A new characterization of V-representability for one-electron systems is also included. Taken together, the results here open the door to deeper theoretical and numerical investigations of the foundations of TDDFT.

This paper has not been read by Pith yet.

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.