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An Introduction to the Density Matrix Renormalization Group Ansatz in Quantum Chemistry
Garnet Kin-Lic Chan, Jonathan J. Dorando, Debashree Ghosh +4
The Density Matrix Renormalisation Group (DMRG) is an electronic structure method that has recently been applied to ab-initio quantum chemistry. Even at this early stage, it has en…
Targeted Excited State Algorithms
Jonathan J. Dorando, Johannes Hachmann, Garnet Kin-Lic Chan
To overcome the limitations of the traditional state-averaging approaches in excited state calculations, where one solves for and represents all states between the ground state and…
The radical character of the acenes: A density matrix renormalization group study
Johannes Hachmann, Jonathan J. Dorando, Michael Aviles +1
We present a detailed investigation of the acene series using high-level wavefunction theory. Our ab-initio Density Matrix Renormalization Group algorithm has enabled us to carry o…