Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations
DFTB+：高效原子量子力学模拟软件包的最新进展
期刊:Journal of Physical Chemistry A
影响因子:2.8
doi:10.1021/acs.jpca.5c01146
Hourahine, B; Berdakin, M; Bich, J A; Bonafé, F P; Camacho, C; Cui, Q; Deshaye, M Y; Díaz Mirón, G; Ehlert, S; Elstner, M; Frauenheim, T; Goldman, N; González León, R A; van der Heide, T; Irle, S; Kowalczyk, T; Kubař, T; Lee, I S; Lien-Medrano, C R; Maryewski, A; Melson, T; Min, S K; Niehaus, T; Niklasson, A M N; Pecchia, A; Reuter, K; Sánchez, C G; Scheurer, C; Sentef, M A; Stishenko, P V; Vuong, V Q; Aradi, B
