Plotting exciton wavefunction

From VASP Wiki
Revision as of 15:10, 29 January 2024 by Tal (talk | contribs) (Created page with "The exciton wavefunction can be written as <math>\psi_\lambda\left(r_e,r_h\right)=\sum_{vc} A_{vc}^\lambda \psi_v(r_h)\psi_c^*(r_e)</math> and depends on coordinates of a hole as well as an electron, thus two coordinates. In order to represent this function in 3D space we need to fix either the position of the electron $\psi_\lambda(r^*_e,r_h)$ or that of the hole $\psi_\lambda(r_e,r^*_h)$ File:HBN exciton.png|500px|thumb|Charge density of the first bright exciton...")
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)

The exciton wavefunction can be written as and depends on coordinates of a hole as well as an electron, thus two coordinates. In order to represent this function in 3D space we need to fix either the position of the electron $\psi_\lambda(r^*_e,r_h)$ or that of the hole $\psi_\lambda(r_e,r^*_h)$



Charge density of the first bright exciton in hBN.




Related tags and sections

CHGCAR, NBSEEIG, BSEHOLE, BSEELECTRON, BSE

References