We’ve been working with the group of Prof. Piotr Piecuch to apply two tiers of parallelism to optimize molecular geometries at the CCSD(T) level of theory. Check out our application of this procedure to gold clusters, recently published as a communication in J. Chem. Phys.
Also, don’t miss Yinan’s recent article in JCP on spatial symmetry breaking in MCSCF wavefunctions and his JCP communication on non-radiative decay via conical intersections at semiconductor defects.
[Update: Our joint article with the Piecuch group made JCP’s list of the 20 most downloaded articles in September!]
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