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.
KeywordsAdiabatic Approximation Initial Wavefunction Nondegenerate Ground State Current Density Functional Theory Density Functional Theory Version
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