TC++ is a free/libre open-source software of the transcorrelated (TC) method for first-principles calculation of solids. Here, the TC method is one of the promising wave-function theories that can be applied to periodic systems with reasonable computational cost and satisfactory accuracy. We present our implementation of TC++ including a detailed description of the divergence correction technique applied to the TC effective interactions. We also present the way to use TC++ and some results of application to simple periodic systems: bulk silicon and homogeneous electron gas.
@article{arxiv.2302.07420,
title = {TC++: First-principles calculation code for solids using the transcorrelated method},
author = {Masayuki Ochi},
journal= {arXiv preprint arXiv:2302.07420},
year = {2023}
}
Comments
56 pages, 2 figures. Signs of Eqs.(98) and (99) are corrected. Computational code is available at https://github.com/masaochi/TC