An efficient matrix product operator representation of the quantum chemical Hamiltonian.

An efficient matrix product operator representation of the quantum chemical Hamiltonian.

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http://www.wikidata.org/entity/Q50744573
Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group.Quantum Chemical Spin Densities for Radical Cations of Photosynthetic Pigment Models.Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms.Multiconfigurational Effects in Theoretical Resonance Raman Spectra.Laplace-transformed multi-reference second-order perturbation theories in the atomic and active molecular orbital basis.Exploration of H2 binding to the [NiFe]-hydrogenase active site with multiconfigurational density functional theory.DMRG-CASPT2 study of the longitudinal static second hyperpolarizability of all-trans polyenes.Perspective: Theory of quantum transport in molecular junctions.A state interaction spin-orbit coupling density matrix renormalization group method.Spin-adapted matrix product states and operators.Large-scale QM/MM calculations of the CaMn4O5 cluster in the S3 state of the oxygen evolving complex of photosystem II. Comparison between water-inserted and no water-inserted structures.Measuring multi-configurational character by orbital entanglement
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An efficient matrix product operator representation of the quantum chemical Hamiltonian.

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http://www.wikidata.org/entity/Q50744573
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An efficient matrix product operator representation of the quantum chemical Hamiltonian.
@en
An efficient matrix product operator representation of the quantum chemical Hamiltonian.
@nl
type
label
An efficient matrix product operator representation of the quantum chemical Hamiltonian.
@en
An efficient matrix product operator representation of the quantum chemical Hamiltonian.
@nl
prefLabel
An efficient matrix product operator representation of the quantum chemical Hamiltonian.
@en
An efficient matrix product operator representation of the quantum chemical Hamiltonian.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698
P818
P356
P1433
P1476
An efficient matrix product operator representation of the quantum chemical Hamiltonian.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698
P818