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Seminars and workshops of department 26

Seminář / Tuesday, 28.05.2019 10:00

In the first part of the talk, I will review basic concepts of quantum chemical density matrix renormalization group (QC-DMRG), the method of choice for calculations of strongly correlated molecular systems, which is especially suitable for treatment of one-dimensional and quasi one-dimensional problems. I will also present our recent developments on local orbital optimization matching the two-site DMRG scheme [1] and introduce MOLMPS, the massively parallel QC-DMRG implementation which is currently under development [2].

In the second part, I will introduce the recently developed...

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