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During the past 15 years, the density matrix renormalization group (DMRG) has become increasingly important for ab initio quantum chemistry.
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Localized Atomic and Molecular Orbitals
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On the correlation problem in atomic and molecular systems. Calculation of wavefunction components in Ursell-type expansion using quantum-field theoretical methods
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Dimers on a Rectangular Lattice
R. J. Baxter · 1968
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Individualized configuration selection in CI calculations with subsequent energy extrapolation
R. J. Buenker and S. D. Peyerimhoff · 1974
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The renormalization group: Critical phenomena and the Kondo problem
K. G. Wilson · 1975
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The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
E. R. Davidson · 1975
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Generalizations of the direct CI method based on the graphical unitary group approach. I. Single replacements from a complete CI root function of any spin, first order wave functions
P. E. M. Siegbahn · 1979
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The graphical unitary group approach to the electron correlation problem. Methods and preliminary applications
B. R. Brooks and H. F. Schaefer · 1979
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The complete active space SCF method in a Fock-matrix-based super-CI formulation
B. O. Roos · 1980
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A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
B. O. Roos, P. R. Taylor, and P. E. M. Siegbahn · 1980
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Generalizations of the direct CI method based on the graphical unitary group approach. II. Single and double replacements from any set of reference configurations
P. E. M. Siegbahn · 1980
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The complete active space SCF (CASSCF) method in a Newton-Raphson formulation with application to the HNO molecule
P. E. M. Siegbahn, J. Almlöf, A. Heiberg, and B. O. Roos · 1981
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The self-consistent electron pairs method for multiconfiguration reference state functions
H.-J. Werner and E.-A. Reinsch · 1982
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Accurate ab initio Spin Densities
K. Boguslawski, K. H. Marti, Ö. Legeza, and M. Reiher · 1982
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Group theory in physics , volume 1 & 2 1~\&~2
J. F. Cornwell · 1984
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Gap of the linear spin-1 Heisenberg antiferromagnet: A Monte Carlo calculation
M. P. Nightingale and H. W. J. Blöte · 1986
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Rigorous results on valence-bond ground states in antiferromagnets
I. Affleck, T. Kennedy, E. H. Lieb, and H. Tasaki · 1987
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Exact antiferromagnetic ground states of quantum spin chains
M. Fannes, B. Nachtergaele, and R. F. Werner · 1989
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A fast intrinsic localization procedure applicable for ab initio and semiempirical linear combination of atomic orbital wave functions
J. Pipek and P. G. Mezey · 1989
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The restricted active space self-consistent-field method, implemented with a split graph unitary group approach
P.-Å. Malmqvist, A. Rendell, and B. O. Roos · 1990
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Second-order perturbation theory with a complete active space self-consistent field reference function
K. Andersson, P.-Å. Malmqvist, and B. O. Roos · 1992
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The implementation of the multireference coupled-cluster method based on the single-reference formalism
N. Oliphant and L. Adamowicz · 1992
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Density matrix formulation for quantum renormalization groups
S. R. White · 1992
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Finitely correlated states on quantum spin chains
M. Fannes, B. Nachtergaele, and R. F. Werner · 1992
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Real-space quantum renormalization groups
S. R. White and R. M. Noack · 1992
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Density-matrix algorithms for quantum renormalization groups
S. R. White · 1993
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Complete active space coupled-cluster method. Extension of single-reference coupled-cluster method using the CASSCF wavefunction
L. Z. Stolarczyk · 1994
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Thermodynamic limit of density matrix renormalization
S. Östlund and S. Rommer · 1995
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Density-matrix renormalization-group method in momentum space
T. Xiang · 1996
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Accuracy of the density-matrix renormalization-group method
Ö. Legeza and G. Fáth · 1996
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Spin Gaps in a Frustrated Heisenberg Model for CaV 4 O 9
S. R. White · 1996
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Class of ansatz wave functions for one-dimensional spin systems and their relation to the density matrix renormalization group
S. Rommer and S. Östlund · 1997
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The density matrix renormalization group method applied to interaction round a face Hamiltonians
G. Sierra and T. Nishino · 1997
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Stability of the Haldane phase in anisotropic magnetic ladders
Ö. Legeza and J. Sólyom · 1997
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Ab initio quantum chemistry using the density matrix renormalization group
S. R. White and R. L. Martin · 1999
Cited alongside, same era.
Molecular electronic-structure theory
T. Helgaker, P. Jørgensen, and J. Olsen · 2000
Cited alongside, same era.
Full-CI quantum chemistry using the density matrix renormalization group
S. Daul, I. Ciofini, C. Daul, and S. R. White · 2000
Cited alongside, same era.
Density Matrix Renormalisation Group Method and Symmetries of the Hamiltonian
I. P. McCulloch and M. Gulácsi · 2000
Cited alongside, same era.
Quantum chemistry using the density matrix renormalization group
A. O. Mitrushenkov, G. Fano, F. Ortolani, R. Linguerri, and P. Palmieri · 2001
Cited alongside, same era.
Total spin in the density matrix renormalization group algorithm
I. P. McCulloch and M. Gulácsi · 2001
Cited alongside, same era.
Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory
T. Yanai, Y. Kurashige, E. Neuscamman, and G. K.-L. Chan · 2010
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Strongly contracted canonical transformation theory
E. Neuscamman, T. Yanai, and G. K.-L. Chan · 2010
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Optimizing Hartree-Fock orbitals by the density-matrix renormalization group
H.-G. Luo, M.-P. Qin, and T. Xiang · 2010
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Communication: Novel quantum states of electron spins in polycarbenes from ab initio density matrix renormalization group calculations
W. Mizukami, Y. Kurashige, and T. Yanai · 2010
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Complete-graph tensor network states: a new fermionic wave function ansatz for molecules
K. H. Marti, B. Bauer, M. Reiher, M. Troyer, and F. Verstraete · 2010
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Highly correlated calculations with a polynomial cost algorithm: A study of the density matrix renormalization group
G. K.-L. Chan and M. Head-Gordon · 2002
Cited alongside, same era.
On the Distribution of Eigenvalues of Grand Canonical Density Matrices
G. K.-L. Chan, P. W. Ayers, and E. S. Croot III · 2002
Cited alongside, same era.
The non-Abelian density matrix renormalization group algorithm
I. P. McCulloch and M. Gulácsi · 2002
Cited alongside, same era.
Entanglement in Quantum Critical Phenomena
G. Vidal, J. I. Latorre, E. Rico, and A. Kitaev · 2003
Cited alongside, same era.
Exact solution (within a triple-zeta, double polarization basis set) of the electronic Schrödinger equation for water
G. K.-L. Chan and M. Head-Gordon · 2003
Cited alongside, same era.
Quantum chemistry using the density matrix renormalization group II
A. O. Mitrushenkov, R. Linguerri, P. Palmieri, and G. Fano · 2003
Cited alongside, same era.
The Density Matrix Renormalization Group Algorithm in Quantum Chemistry
K. H. Marti and M. Reiher · 2010
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Tensor-Train Decomposition
I. Oseledets · 2011
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Tensor Network States and Geometry
G. Evenbly and G. Vidal · 2011
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New electron correlation theories for transition metal chemistry
K. H. Marti and M. Reiher · 2011
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Quantum-information analysis of electronic states of different molecular structures
G. Barcza, Ö. Legeza, K. H. Marti, and M. Reiher · 2011
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Construction of CASCI-type wave functions for very large active spaces
K. Boguslawski, K. H. Marti, and M. Reiher · 2011
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Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: Theory and application to the study of chromium dimer
Y. Kurashige and T. Yanai · 2011
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The Density Matrix Renormalization Group in Quantum Chemistry
G. K.-L. Chan and S. Sharma · 2011
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Time-Dependent Variational Principle for Quantum Lattices
J. Haegeman, J. I. Cirac, T. J. Osborne, I. Piz̆orn, H. Verschelde, and F. Verstraete · 2011
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Studying Two-Dimensional Systems with the Density Matrix Renormalization Group
E. M. Stoudenmire and S. R. White · 2012
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On the importance of orbital localization in QC-DMRG calculations
A. O. Mitrushchenkov, G. Fano, R. Linguerri, and P. Palmieri · 2012
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Longitudinal static optical properties of hydrogen chains: Finite field extrapolations of matrix product state calculations
S. Wouters, P. A. Limacher, D. Van Neck, and P. W. Ayers · 2012
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Extended implementation of canonical transformation theory: parallelization and a new level-shifted condition
T. Yanai, Y. Kurashige, E. Neuscamman, and G. K.-L. Chan · 2012
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Low entanglement wavefunctions
G. K.-L. Chan · 2012
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Matrix product state based algorithm for determining dispersion relations of quantum spin chains with periodic boundary conditions
B. Pirvu, J. Haegeman, and F. Verstraete · 2012
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Variational matrix product ansatz for dispersion relations
J. Haegeman, B. Pirvu, D. J. Weir, J. I. Cirac, T. J. Osborne, H. Verschelde, and F. Verstraete · 2012
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Tensor network states and algorithms in the presence of a global SU(2) symmetry
S. Singh and G. Vidal · 2012
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Non-abelian symmetries in tensor networks: A quantum symmetry space approach
A. Weichselbaum · 2012
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Entanglement rates and area laws
K. Van Acoleyen, M. Mariën, and F. Verstraete · 2013
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Area law and real-space renormalization
A. J. Ferris · 2013
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More π \pi Electrons Make a Difference: Emergence of Many Radicals on Graphene Nanoribbons Studied by Ab Initio DMRG Theory
W. Mizukami, Y. Kurashige, and T. Yanai · 2013
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Efficient tree tensor network states (TTNS) for quantum chemistry: Generalizations of the density matrix renormalization group algorithm
N. Nakatani and G. K.-L. Chan · 2013
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Orbital Entanglement in Bond-Formation Processes
K. Boguslawski, P. Tecmer, G. Barcza, Ö. Legeza, and M. Reiher · 2013
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Entangled quantum electronic wavefunctions of the Mn 4 CaO 5 cluster in photosystem II
Y. Kurashige, G. K.-L. Chan, and T. Yanai · 2013
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Assessment of various natural orbitals as the basis of large active space density-matrix renormalization group calculations
Y. Ma and H. Ma · 2013
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Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function
M. Saitow, Y. Kurashige, and T. Yanai · 2013
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Multireference Ab Initio Density Matrix Renormalization Group (DMRG)-CASSCF and DMRG-CASPT2 Study on the Photochromic Ring Opening of Spiropyran
F. Liu, Y. Kurashige, T. Yanai, and K. Morokuma · 2013
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Multireference electron correlation methods with density matrix renormalisation group reference functions
Y. Kurashige · 2013
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Thouless theorem for matrix product states and subsequent post density matrix renormalization group methods
S. Wouters, N. Nakatani, D. Van Neck, and G. K.-L. Chan · 2013
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Post-matrix product state methods: To tangent space and beyond
J. Haegeman, T. J. Osborne, and F. Verstraete · 2013
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Real-space parallel density matrix renormalization group
E. M. Stoudenmire and S. R. White · 2013
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Exact NMR simulation of protein-size spin systems using tensor train formalism
D. V. Savostyanov, S. V. Dolgov, J. M. Werner, and I. Kuprov · 2014
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Tree tensor network state study of the ionic-neutral curve crossing of LiF
V. Murg, F. Verstraete, R. Schneider, P. R. Nagy, and Ö. Legeza · 2014
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Unravelling the quantum-entanglement effect of noble gas coordination on the spin ground state of CUO
P. Tecmer, K. Boguslawski, Ö. Legeza, and M. Reiher · 2014
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Linear response theory for the density matrix renormalization group: Efficient algorithms for strongly correlated excited states
N. Nakatani, S. Wouters, D. Van Neck, and G. K.-L. Chan · 2014
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Communication: Four-component density matrix renormalization group
S. Knecht, Ö. Legeza, and M. Reiher · 2014
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CheMPS2: a free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry
S. Wouters, W. Poelmans, P. W. Ayers, and D. Van Neck · 2014
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Ab initio density matrix renormalization group study of magnetic coupling in dinuclear iron and chromium complexes
T. V. Harris, Y. Kurashige, T. Yanai, and K. Morokuma · 2014
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Quantum entanglement in carbon-carbon, carbon-phosphorus and silicon-silicon bonds
M. Mottet, P. Tecmer, K. Boguslawski, Ö. Legeza, and M. Reiher · 2014
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Toward Reliable Prediction of Hyperfine Coupling Constants Using Ab Initio Density Matrix Renormalization Group Method: Diatomic Σ 2 {}^{2}\Sigma and Vinyl Radicals as Test Cases
T. N. Lan, Y. Kurashige, and T. Yanai · 2014
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Spectroscopic accuracy directly from quantum chemistry: Application to ground and excited states of beryllium dimer
S. Sharma, T. Yanai, G. H. Booth, C. J. Umrigar, and G. K.-L. Chan · 2014
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Radical o-o coupling reaction in diferrate-mediated water oxidation studied using multireference wave function theory
Y. Kurashige, M. Saitow, J. Chalupsky, and T. Yanai · 2014
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Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen)
S. Wouters, T. Bogaerts, P. Van Der Voort, V. Van Speybroeck, and D. Van Neck · 2014
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E. Fertitta, B. Paulus, G. Barcza, and Ö. Legeza · 2014
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Determining Factors for the Accuracy of DMRG in Chemistry
S. F. Keller and M. Reiher · 2014
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Analytic Time Evolution, Random Phase Approximation, and Green Functions for Matrix Product States
J. M. Kinder, C. C. Ralph, and G. K.-L. Chan · 2014
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QC-DMRG study of the ionic-neutral curve crossing of LiF
Ö. Legeza, J. Röder, and B. A. Hess · 2028
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