作者: Stefan Seritan , Christoph Bannwarth , B. Scott Fales , Edward G. Hohenstein , Sara I. L. Kokkila-Schumacher
DOI: 10.1063/5.0007615
关键词:
摘要: … electrostatics and density-dependent dispersion contributions,” J. Chem. Theory Comput. … If sparsity is enabled, then the X tensor will be stored as a sparse matrix, where we keep track …