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cond-mat.str-el2020
RESPACK: An ab initio tool for derivation of effective low-energy model of material
Kazuma Nakamura, Yoshihide Yoshimoto, Yusuke Nomura +6
RESPACK is a first-principles calculation software for evaluating the interaction parameters of materials and is able to calculate maximally localized Wannier functions, response f…
cond-mat.str-el2019
A Parallel Computing Method for the Coupled-Cluster Singles and Doubles
Takumi Yamashita, Taichi Kosugi, Yu-ichiro Matsushita +1
In this paper, we present a parallel computing method for the coupled-cluster singles and doubles (CCSD) in periodic systems. The CCSD in periodic systems solves simultaneous equat…