+ Site Statistics

+ Search Articles

+ PDF Full Text Service

How our service works

Request PDF Full Text

+ Follow Us

Follow on Facebook

Follow on Twitter

Follow on LinkedIn

+ Subscribe to Site Feeds

Most Shared

PDF Full Text

+ Translate

+ Recently Requested

Kohn-Sham self-interaction correction in real time

Hofmann, D.; Körzdörfer, T.; Kümmel, S.

Physical Review Letters 108(14): 146401

2012

We present a solution scheme for the time-dependent Kohn-Sham self-interaction correction. Based on the generalized optimized effective potential approach, the multiplicative Kohn-Sham potential is constructed in real time and real space for the self-interaction corrected local density approximation. Excitations of different character, including charge-transfer excitations that had been regarded as prime examples for the failure of standard time-dependent density functionals, are described correctly by this approach. We analyze the time-dependent exchange-correlation potential and density, revealing features that are decisive for the correct description of the response.

Related references

**Time-dependent Kohn-Sham theory with memory**. Physical Review Letters 95(8): 086401, 2005