### triplets calculation in BSE

Posted:

**Mon Aug 05, 2013 10:52 pm**Hello all,

The BSE in the TDA is H = E + cV - W, where V and W are the bare Coulomb interactions and the statically screened Coulomb interactions, respectively. Therefore, in principle, we can calculate the singlets exciton energy by setting c = 2, and the triplets exciton energy by setting c = 0. In the manual of Yambo, I don't find how to set the parameter c. So, Yambo calculate the singlet exicton energy in default. Thereby, my question is can I calculate the triplet exciton energy by dropping V (V=0)? and which subroutines should I modified? Although it is interesting to find out the way by myself, asking question is the fastest way to get the answer.

Thanks you,

arlonne

The BSE in the TDA is H = E + cV - W, where V and W are the bare Coulomb interactions and the statically screened Coulomb interactions, respectively. Therefore, in principle, we can calculate the singlets exciton energy by setting c = 2, and the triplets exciton energy by setting c = 0. In the manual of Yambo, I don't find how to set the parameter c. So, Yambo calculate the singlet exicton energy in default. Thereby, my question is can I calculate the triplet exciton energy by dropping V (V=0)? and which subroutines should I modified? Although it is interesting to find out the way by myself, asking question is the fastest way to get the answer.

Thanks you,

arlonne