New answers tagged td-dft
3
votes
Is a D-Wave quantum computer able to do TD-DFT calculations?
Any computation that can be solved on an ordinary classical computer can in theory be turned into a QUBO problem.
This includes TD-DFT calculations. We know this because the the 2-local Hamiltonian ...
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5
votes
What are the recent developments of TDDFT to simulate the excited properties of materials?
Time-dependent density functional theory (TDDFT) has indeed seen significant developments since its review in the classical paper you mentioned. One of the recent advancements in TDDFT is:
Nonlinear ...
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