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0.18.0

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adcc

adcc: Seamlessly connect your host program to ADC

adcalgebraic-diagrammaticchemistrycomputationalconstructionelectronicexcitedquantumspectroscopystatesstructure
Published17 Jun 2026
Direct dependencies19
Transitive dependenciesNot calculated

README

Version 0.18.0 documentation

adcc: Seamlessly connect your program to ADC

Documentation
Build Status
Installation

adcc (ADC-connect) is a Python-based framework for calculating molecular spectra and electronically excited states with the algebraic-diagrammatic construction (ADC) approach.

Arbitrary host programs may be used to supply a self-consistent field (SCF) reference to start off the ADC calculation. Currently adcc comes with ready-to-use interfaces to four programs: PySCF, Psi4, VeloxChem and molsturm. Adding other SCF codes or starting a calculation from statically computed data can be easily achieved.

Try adcc in your browser at https://try.adc-connect.org or take a look at the adcc documentation for more details and installation instructions.

Citation

Paper:
Code:DOI

If you use adcc, please cite our paper in WIREs Computational Molecular Science. A preprint can be found on HAL or on arXiv.

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Declared dependencies 20

Native requirements
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adcc-0.18.0.tar.gz

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adc-connect/adcc

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package_version:a3cf70df9777bcbc8b6e978e8a97fcfb52f37badba4f74b6bf200441ac6629a6

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