Projector Augmented Wave Method with Gauss-type Atomic Orbital Basis: Implementation of Generalized Gradient Approximation and Mesh Grid Quadrature
Xiong, Xiao-Gen, Sugiura, Akira, Yanai, TakeshiJournal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c00137
Date:
July, 2020
File:
PDF, 892 KB
2020