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TC++

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TC++ is open-source software for ab initio calculations using the transcorrelated (TC) method. In TC++, users can take account of electron correlations in a Jastrow correlation factor based on the TC method. Electronic structures obtained by Quantum ESPRESSO can be used as an initial state of TC++.

Information
Last Update:2023/08/18

Official site

https://github.com/masaochi/TC

License

MIT license

Availability
Core Developers

Masayuki Ochi (Osaka University)
Physical quantities that can be computed
  • Total energy
  • Orbital energy
  • Magnetic moment
Methodology

Transcorrelated（TC）method
Parallelization

MPI parallelization
Related App
Related keywords
Document

M. Ochi, “TC++: First-principles calculation code for solids using the transcorrelated method”, Comput. Phys. Commun. 287 108687 (2023).
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