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# ACE-Molecule Wiki
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The Advanced Computational Electronic structure package for Molecules(**ACE-Molecule**) is a **density functional theory** (DFT) calculation package based on **real-space numerical grid**.
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The ACE-Molecule project is opened to anyone who has interests in testing various experimental features.
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**ACE-Molecule**, which stands for Advanced Computational Engine for Molecule, is a **quantum chemistry package** based on a **real-space numerical grid**. The package aims to carry out accurate and fast electronic structure calculations for large molecular systems. The present main features include ground-state DFT calculations using LDA, GGA, and hybrid functionals with an exact-exchange potential under the KLI approximation, atomic force calculations, and excited state calculations using linear-response TD-DFT, CIS, and CISD methods.
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The ACE-Molecule project is opened to anyone who has interests in testing various experimental features.
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# Main features
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## Large-scale electronic structure simulation
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