Q-Chem Updated
06 February 2012 - Filed in: computational chemistry
I just got this message:-
We are pleased to announce the official release of Q-Chem 4.0. Q-Chem 4.0 represents the latest development in quantum chemistry methodology and includes:
- Dispersion-corrected and double hybrid DFT functionals;
- Faster algorithms for DFT, HF and coupled-cluster calculations;
- Structures and vibrations of excited states with TD-DFT;
- Methods for mapping complicated potential energy surfaces;
- Efficient valence space models for strong correlation;
- More choices for excited states, solvation and charge-transfer;
- Effective Fragment Potential and QM/MM for large systems;
- Shared-memory for multicores and implementations for GPU's.
A complete list of the new features can be found at the our website: http://www.q-chem.com.
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