Woywod, Clemens; Roy, Susmita; Maiti, Kiran; Ruud, Kenneth (Journal article; Tidsskriftartikkel; Peer reviewed, 2018-09-27)
<p>The mapping of an electronic state on a real-space support lattice may offer advantages over a basis set ansatz in cases where there are linear dependences due to basis set overcompleteness or when strong internal or external fields are present. Such discretization methods are also of interest because they allow for the convenient numerical integration of matrix elements of local operators. We ...