Quantum Chemical Program Suite
DescriptionPSI4 is an ab-initio quantum chemistry program. It is especially designed to accurately compute properties of small to medium molecules using highly correlated techniques. PSI4 is the parallelized successor of PSI3 and includes many state-of-the-art theoretical methods. It can compute energies and gradients for the following methods:
2508 other people were interested in this package here. The newest known version of this software is 1:1.3.2-3 (Information last updated about 7 hours ago.)
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