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MRCC Forum
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Updates
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New MRCC version
New MRCC version
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5 years 3 months ago #501
by jcsontos
The latest version of MRCC is released on Feb 4, 2018.
The important new features and changes are as follows.
1) New, very fast, open-shell CCSD(T) implementation.
2) An efficient reduced-cost second-order algebraic diagrammatic construction [ADC(2)] method for excitation energies and transition moments.
3) Improved SCF code and more flexible SCF initial guess.
4) Self-consistent implementation of van der Waals functionals.
5) Dual basis set approximations.
6) A couple of bugs have been fixed and the manual has been improved.
It is recommended for every user to upgrade to this version.
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