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New MRCC version - 25.1.0

  • kallay
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  • Mihaly Kallay
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2 weeks 15 hours ago - 2 weeks 14 hours ago #1544 by kallay
New MRCC version - 25.1.0 was created by kallay
The latest version of MRCC was released on March 18, 2025.
The important new features and changes are as follows.

1. A detailed review of MRCC's current capabilities has been published in J. Phys. Chem. A 129, 2086 (2025). All users are requested to use the corresponding new citation format in any publication (see Sect. 4 of the manual). doi.org/10.1021/acs.jpca.4c07807
2. Density-based basis-set correction for double hybrid DFT methods. doi.org/10.1021/acs.jpclett.5c00122
3. Reduced-cost and parallel implementation of explicitly correlated MP2 and CCSD(T). doi.org/10.1021/acs.jctc.4c01777
4. A couple of bugs have been fixed, and the manual has been improved.

It is recommended for every user to upgrade to this version.

Best regards,
Mihaly Kallay
Last edit: 2 weeks 14 hours ago by kallay.

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