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The Group of Felix Plasser at Loughborough

Talk: The WFA module in MOLCAS

FelixApril 6, 2018

On 4 April, 2018, Felix Plasser gave a talk at the 6th Molcas developers’ workshop in Leuven: “The WFA module in MOLCAS: Turning numbers into chemical insight” (download pdf). The talk discusses the new wave function analysis (WFA) module in OpenMolcas. It presents some illustrative applications and subsequently presents more technical aspects: installation, execution, and post processing.

Talk Software, Wavefunction analysis Bookmark
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