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🗃️ Add component "ChemTensor" from Issue #157 - #158

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🗃️ Add component "ChemTensor" from Issue #157#158
github-actions[bot] wants to merge 2 commits into
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Closes #157. This PR was automatically generated.


Summary:

title: ChemTensor
languages:
  - C
  - Python
links:
  docs: https://chemtensor.readthedocs.io
  github: https://github.com/qc-tum/chemtensor
  releases: https://pypi.org/project/chemtensor/
maintainers:
  - TUM-QC
---

**ChemTensor** is a implementation of tensor network algorithms tailored for chemical systems. It is written in C, offering a Python 3 interface for more straightforward accessibility.

Features include representation of common Hamiltonians as MPOs (including molecular Hamiltonians), tree tensor network topologies, general MPO and TTNO construction with optimized bond dimensions from a list of operator chains, U(1) and SU(2) symmetries, single- and two-site DMRG algorithm, tensor hypercontraction form of molecular Hamiltonians, Basis-Update and Galerkin (BUG) rank-adaptive time integration.

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@DRovara DRovara left a comment

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@cmendl thanks for the addition. Once again, same comment here. We can merge the components in once the changes have been finalised!

Comment thread _components/chemtensor.md
Comment on lines +14 to +21
**ChemTensor** is a implementation of tensor network algorithms tailored for chemical systems. It is
written in C, offering a Python 3 interface for more straightforward accessibility.

Features include representation of common Hamiltonians as MPOs (including molecular Hamiltonians),
tree tensor network topologies, general MPO and TTNO construction with optimized bond dimensions
from a list of operator chains, U(1) and SU(2) symmetries, single- and two-site DMRG algorithm,
tensor hypercontraction form of molecular Hamiltonians, Basis-Update and Galerkin (BUG)
rank-adaptive time integration.

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We typically only have single-paragraph summaries of a couple of lines, so it would likely be best to also apply that here for consistency reasons. One potential suggestion (but feel free to write up your own if you also want to include more features in more detail):

Suggested change
**ChemTensor** is a implementation of tensor network algorithms tailored for chemical systems. It is
written in C, offering a Python 3 interface for more straightforward accessibility.
Features include representation of common Hamiltonians as MPOs (including molecular Hamiltonians),
tree tensor network topologies, general MPO and TTNO construction with optimized bond dimensions
from a list of operator chains, U(1) and SU(2) symmetries, single- and two-site DMRG algorithm,
tensor hypercontraction form of molecular Hamiltonians, Basis-Update and Galerkin (BUG)
rank-adaptive time integration.
An implementation of tensor network algorithms tailored for chemical systems. It features the representation of common Hamiltonians as MPOs, tree tensor network topologies, and more.

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🗃️ [New Component]: ChemTensor

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