WEST-Qbox Coupling

Coupling

WEST

 to multiple copies of

Qbox

 allows for efficient calculations of density response functions in finite field

H. Ma, M. Govoni, F. Gygi, and G. Galli J. Chem. Theory Comput., 15, 154-164 (2019).
N. Linh Nguyen, H. Ma, M. Govoni, F. Gygi, and G. Galli Phys. Rev. Lett. 122, 237402 (2019).
H. Ma, N. Sheng, M. Govoni, and G. Galli J. Chem. Theory Comput. 17, 2116–2125 (2021).