The density matrix renormalization group in quantum chemistry.

By Garnet Kin-Lic Chan, Sandeep Sharma. Annual review of physical chemistry (Print), 2011

735 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics

View Paper: https://www.semanticscholar.org/paper/3d0f6ef2f2e6c7e6aef03338bb93d3822bce6cf7

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

Citations in the corpus

Tensor product methods and entanglement optimization for ab initio quantum chemistry (2014, neutral): “,μd) ∈ Vd N holds if and only if P|Ψ〉 = N |Ψ〉, (42) i.”
Matrix product states and projected entangled pair states: Concepts, symmetries, theorems (2020, background): “MPS and TTN have also been applied to problems in quantum chemistry, yielding very promising results, although there are still open questions about the suitability of different tensor networks for different chemical structures (Chan and Sharma, 2011; Szalay et al., 2015; White and Martin, 1999).”
Quantum Chemistry in the Age of Quantum Computing. (2018, positive): “tion 101 to a four-qubit Hamiltonian Helec= 0I+ 1Z 1 + 2Z 2 + 3Z 3 + 4Z 1Z 2 (104) + 5Z 1Z 3 + 6Z 2Z 4 + 7X 1Z 2X 3 + 8Y 1Z 2Y 3 (105) + 9Z 1Z 2Z 3 + 10Z 1Z 3Z 4 + 11Z 2Z 3Z 4 (106) + 12X 1Z 2X 3Z 4 + 13Y 1Z 2Y 3Z 4 + 14Z 1Z 2Z 3Z 4: (107) Here, Xj, Yj, and Zj are Pauli operators acti”
Variational quantum algorithms (2020, methodology): “These include approximate methods such as Hartree-Fock or density functional theory, or methods closely connected to quantum information, like the density matrix renormalization group approach that utilizes matrix product states as an ansatz [224, 225].”
Efficient numerical simulations with Tensor Networks: Tensor Network Python (TeNPy) (2018, background): “Applications of DMRG in quantum chemistry are discussed in Ref [40].”
Ground-state phase diagram of the square lattice Hubbard model from density matrix embedding theory (2015, methodology): “The impurity model ground state | ′〉 was determined using a DMRG solver [68] with a maximum number of renormalized states M = 2000, allowing for U (1) and SU (2) spin symmetry breaking.”
Potential of quantum computing for drug discovery (2018, neutral): “These assessments must be complemented with comparisons against state-of-the-art classical methods in electronic structure, such as density matrix renormalization group approaches [182, 183], density-matrix embedding theory (DMET) [184], and new developments in FCI calculations [185, 186].”
Semistochastic Heat-Bath Configuration Interaction Method: Selected Configuration Interaction with Semistochastic Perturbation Theory. (2016, methodology): “Other possibilities include highly accurate but approximate methods such as the density matrix renormalization group (DMRG) 4–6 , full conﬁguration interaction quantum Monte Carlo (FCIQMC) 7,8 , and its semistochastic improvement (S-FCIQMC) 9 , which routinely treat up to about 40-50 active…”
Organic light-emitting diodes: theoretical understanding of highly efficient materials and development of computational methodology (2017, background): “Thanks to the eminent contributions by Chan [48], DMRG now becomes an option for highly accurate quantumchemistry calculation [49].”
Gauging Quantum States: From Global to Local Symmetries in Many-Body Systems (2014, background): “[34] Garnet Kin-Lic Chan and Sandeep Sharma, “The density”