Tailoring coupled cluster theory with matrix product states

Fabian Faulstich
Rensselaer Polytechnic Institute

Coupled cluster theory is widely recognized as one of the most frequently used high-accuracy wavefunction methods in computational chemistry. While the method has enjoyed considerable success, it encounters notable challenges when dealing with strongly correlated systems. In these cases, the combination of coupled cluster theory and the Density Matrix Renormalization Group (DMRG) method has shown to be especially promising. In my presentation, I will introduce the framework of this combined approach, and discuss some of its key mathematical and computational achievements.

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