TC++: first-principles calculation code for solids using the transcorrelated method

DOI10.1016/j.cpc.2023.108687OpenAlexW4319765261MaRDI QIDQ2692466

Masayuki Ochi

Publication date: 21 March 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2302.07420

zbMATH Keywords

periodic systemsfirst-principles calculationwave-function theory

Mathematics Subject Classification ID

Mechanics of deformable solids (74-XX) Fluid mechanics (76-XX)

Related Items

TC++

Uses Software

• Boost C++ Libraries
• FFTW
• Eigen

Cites Work

• A generalization of the Davidson's method to large nonsymmetric eigenvalue problems
• The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
• On the eigenfunctions of many-particle systems in quantum mechanics
• The Davidson Method
• A Collective Description of Electron Interactions: III. Coulomb Interactions in a Degenerate Electron Gas