Orbital optimization of the electron-hole system
Posted: Wed Nov 23, 2016 4:19 pm
Hello Casino users,
I have tried to reproduce some results of the the article "Trion formation in a two-dimensional hole-doped electron gas" present in the list of papers published using the Casino program. I have done the optimization of the variational parameters to the backflow transformation and Jastrow factor, however, the variational function is not good enough yet. In such paper is mentioned that were performed optmization of the orbitals of the electron-hole system. I would like to do this. Nevertheless, our try to optmization of the plane-wave orbital for the 2d fluid (electron-hole) seems not to be working (or it is not yet implemented) or maybe I am doing something wrong. For the gaussian orbital it seems to be ok. Can somebody help me with this?
I have tried to reproduce some results of the the article "Trion formation in a two-dimensional hole-doped electron gas" present in the list of papers published using the Casino program. I have done the optimization of the variational parameters to the backflow transformation and Jastrow factor, however, the variational function is not good enough yet. In such paper is mentioned that were performed optmization of the orbitals of the electron-hole system. I would like to do this. Nevertheless, our try to optmization of the plane-wave orbital for the 2d fluid (electron-hole) seems not to be working (or it is not yet implemented) or maybe I am doing something wrong. For the gaussian orbital it seems to be ok. Can somebody help me with this?