Effective fragment potential method in Q-CHEM: A guide for users and developers
A detailed description of the implementation of the effective fragment potential (EFP) method in the Q-CHEM electronic structure package is presented. The Q-CHEM implementation interfaces EFP with standard quantum mechanical (QM) methods such as Hartree-F
|Collections||ANU Research Publications|
|Source:||Journal of Computational Chemistry|
|01_Ghosh_Effective_fragment_potential_2013.pdf||808.11 kB||Adobe PDF||Request a copy|
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