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10 papers · 2 filters
Orbital Optimization in the Density Matrix Renormalization Group, with applications to polyenes and β-carotene
Debashree Ghosh, Johannes Hachmann, Takeshi Yanai +1
In previous work we have shown that the Density Matrix Renormalization Group (DMRG) enables near-exact calculations in active spaces much larger than are possible with traditional…
Final-state effects in the radio frequency spectrum of strongly interacting fermions
Sourish Basu, Erich J. Mueller
We model the impact of final state interactions on the radio frequency spectrum of a strongly interacting two-component superfluid Fermi gas. In addition to a broad asymmetric peak…
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…
Magnetism of NiMn2O4-Fe3O4 Spinel Interfaces
B. B. Nelson-Cheeseman, R. V. Chopdekar, J. S. Bettinger +2
We investigate the magnetic properties of the isostructural spinel-spinel interface of NiMn2O4(NMO)-Fe3O4. Although the magnetic transition temperature of the NMO film is preserved…
Spin Hamiltonian for which the Chiral Spin Liquid is the Exact Ground State
Darrell F. Schroeter, Eliot Kapit, Ronny Thomale +1
We construct a Hamiltonian that singles out the chiral spin liquid on a square lattice with periodic boundary conditions as the exact and, apart from the two-fold topological degen…
A canonical transformation theory from extended normal ordering
Takeshi Yanai, Garnet Kin-Lic Chan
The Canonical Transformation theory of Yanai and Chan [J. Chem. Phys. 124, 194106 (2006)] provides a rigorously size-extensive description of dynamical correlation in multireferenc…