Chapter

Time-Dependent Density Functional Theory

Volume 706 of the series Lecture Notes in Physics pp 1-13

Basics

  • E.K.U. Gross
  • , K. Burke

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Abstract

Suppose you are given some piece of matter, such as a molecule, cluster, or solid, and you have already solved the ground-state electronic problem highly accurately. You now ask, how can we best calculate the behavior of the electrons when some time-dependent perturbation, such as a laser field, is applied? The direct approach to this problem is to solve the time-dependent Schrödinger equation. But this can be an even more demanding task than solving for the ground state, and becomes prohibitively expensive as the number of electrons grows, due to their Coulomb repulsion.