TDHF calculation for structure optimization
Posted: Tue Apr 10, 2018 4:59 am
Recently, we are looking into the defect structure under the excited state (under the laser irradiation or e-field stress), however the problem is we don't know how to obtained the stable structure under this excited state, although TDHF is capable to calculate the response function including the excitonic effects. . Here we would like to pray any expert on this field that share some ideas on this problem. Thanks.