ORIGINAL RESEARCH
Published on 27 Jul 2023
Efficient implementation of analytical gradients for periodic hybrid functional calculations within fitted numerical atomic orbitals from NAO2GTO
doi 10.3389/fchem.2023.1232425
- 1,576 views
- Frontiers in Chemistry
- Theoretical and Computational Chemistry
- Research Topics
- Challenges and Opportunities for Computational Chemistry in the Exascale Era
Challenges and Opportunities for Computational Chemistry in the Exascale Era
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Frontiers in Chemistry
- Theoretical and Computational Chemistry
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