Journal Article 7 linear scaling Research Support, Non-U.S. Gov't 3 DIIS 1 Gaussian HF operator 1 HF integration 1 Hartree potential 1 mehr ... LC-DFT 1 Poisson solver 1 acceleration of two electron integral 1 charge density 1 conjugate gradients 1 density fragment interaction 1 density functional theory 1 divide-and-conquer method 1 divide‐and‐conquer 1 dual‐basis set 1 dynamic polarizability 1 excited state 1 excited-state theory 1 fast multipole method 1 graphical processing units 1 graphical processor unit 1 heterogeneous computing 1 interpolating scaling functions 1 long range correction 1 mixed‐basis set 1 multigrid 1 parallel computation 1 parallel fast Fourier transform 1 weniger ...