2 papers
physics.chem-ph2017
Systematically Improvable Excitonic Hamiltonians for Electronic Structure Theory
Anthony D. Dutoi, Yuhong Liu
We show here that the Hamiltonian for an electronic system may be written exactly in terms of fluctuation operators that transition constituent fragments between internally correla…
physics.chem-ph2017
Excitonic Coupled-cluster Theory
Yuhong Liu, Anthony D. Dutoi
A variant of coupled-cluster theory is described here, wherein the degrees of freedom are fluctuations of fragments between internally correlated states. The effects of intra-fragm…