A Perspective on the Future of Quantum Chemical Software: The Example of the ORCA Program Package

Frank Neese

doi:10.1039/d4fd00056k

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A Perspective on the Future of Quantum Chemical Software: The Example of the ORCA Program Package

Faraday Discussions

Article 2024 English

Abstract

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In this contribution, the challenges associated with the long-term development of general-purpose quantum chemical software packages are discussed and illustrated with the example of the ORCA package.

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