Projector Augmented Wave Method with Gauss-type Atomic...

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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, Takeshi
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Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c00137
Date:
July, 2020
File:
PDF, 892 KB
2020
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