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notes on Generalized Configuration-Interaction in python

29 September 2023, Version 1
Working Paper
This content is an early or alternative research output and has not been peer-reviewed by Cambridge University Press at the time of posting.

Abstract

In this work we construct a detailed understanding of the distribution of electrons as described by the Full-Configuration-Interaction (FCI) and for a generalized active-space. These results are presented at an introductory level for beginning practitioners or non-experts. Suitable background are a knowledge of linear-algebra and basic NumPy and Python principles of array manipulation.

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Version History

Sep 29, 2023 Version 1

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The content is available under CC BY 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv-2023-9gch7
D O I: 10.26434/chemrxiv-2023-9gch7 [opens in a new tab]

Author’s competing interest statement

The author(s) have declared they have no conflict of interest with regard to this content

Ethics

The author(s) have declared ethics committee/IRB approval is not relevant to this content

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