New answers tagged

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 ...
Nike Dattani's user avatar
  • 33.5k
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 ...
JaafarMehrez's user avatar

Top 50 recent answers are included