Abstract
The density functional theory (DFT) is used to calculate the change in electronic charge density caused by a static external field with an arbitrary q-wavevector symmetry. This change is expressed through first order corrections to one-particle wave functions which can be derived directly from the effective DFT equations. It is shown how these corrections can be constructed in the angular momentum representation by utilizing band methods. The theory is applied to lattice dynamics of transition metals. Numerical results that agree with experimental data are presented for transverse vibration modes in Nb and Mo.
Full Text 
Sign-in/Register to access full text options
Sign-in/Register to access full text options 
Paper version not known
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
