PTEROSOR
Open-source programming environment for quantum chemistry specially designed for wave function methods. Its main goal is the development of determinant-driven selected CI methods and multi-reference PT2.
Updated 2024-06-20 13:43:46 +02:00
QuAcK is a small quantum chemistry package written in Fortran. It is mostly used for easy prototyping.
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Web application to explore the QUEST database.
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This repository is a template for new projects
Updated 2021-11-05 09:58:07 +01:00
Documents related to the increasingly famous PTEROSOR group meetings
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Review article for WIREs on the QUEST database and Mika's website
Updated 2021-01-25 16:35:52 +01:00
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This repository contains the data management plan of the PTEROSOR ERC project.
Updated 2020-08-03 15:48:24 +02:00