Hi all,
Libor Veis has been visiting for the last two months from the Academy of
Sciences of the Czech Republic. Tomorrow he'll give our first post-Trump
group meeting - see below for the title and abstract.
Best,
Ian
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Title: Quantum chemical density matrix renormalization group (DMRG), its
extensions and possible help in quantum simulation
Abstract: In the first part, I will briefly review the basic concepts of
the quantum chemical DMRG and present our recent work in this direction,
namely the local orbital optimization method and the dynamical correlation
extensions employing the tailored coupled cluster (CC) method. In the
second part, I would like to talk about possible use of DMRG in quantum
algorithms for chemistry, in particular the variational quantum eigenvalue
solver with unitary CC expansion. I will show that generalized version of
this method using the matrix product state (MPS) initial guess states could
be a suitable method for complex multireference systems.
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