Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms

Hilbert space renormalization for the many-electron problem

(2016) Zhendong Li et al.   JOURNAL OF CHEMICAL PHYSICS

Quasi-degenerate perturbation theory using matrix product states

(2016) Sandeep Sharma et al.   JOURNAL OF CHEMICAL PHYSICS

Spin-adapted matrix product states and operators

(2016) Sebastian Keller et al.   JOURNAL OF CHEMICAL PHYSICS

N-Electron Valence State Perturbation Theory Based on a Density Matrix Renormalization Group Reference Function, with Applications to the Chromium Dimer and a Trimer Model of Poly(p-Phenylenevinylene)

(2016) Sheng Guo et al.   Journal of Chemical Theory and Computation

Tensor product methods and entanglement optimization forab initioquantum chemistry

(2015) Szilárd Szalay et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

An efficient matrix product operator representation of the quantum chemical Hamiltonian

(2015) Sebastian Keller et al.   JOURNAL OF CHEMICAL PHYSICS

The ab-initio density matrix renormalization group in practice

(2015) Roberto Olivares-Amaya et al.   JOURNAL OF CHEMICAL PHYSICS

Multireference linearized coupled cluster theory for strongly correlated systems using matrix product states

(2015) Sandeep Sharma et al.   JOURNAL OF CHEMICAL PHYSICS

Tree Tensor Network State with Variable Tensor Order: An Efficient Multireference Method for Strongly Correlated Systems

(2015) V. Murg et al.   Journal of Chemical Theory and Computation

A practical introduction to tensor networks: Matrix product states and projected entangled pair states

(2014) Román Orús   ANNALS OF PHYSICS

Determining Factors for the Accuracy of DMRG in Chemistry

(2014) Sebastian F. Keller et al.   CHIMIA

Matrix product state applications for the ALPS project

(2014) Michele Dolfi et al.   COMPUTER PHYSICS COMMUNICATIONS

CheMPS2: A free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry

(2014) Sebastian Wouters et al.   COMPUTER PHYSICS COMMUNICATIONS

The density matrix renormalization group algorithm on kilo-processor architectures: Implementation and trade-offs

(2014) Csaba Nemes et al.   COMPUTER PHYSICS COMMUNICATIONS

The density matrix renormalization group for ab initio quantum chemistry

(2014) Sebastian Wouters et al.   EUROPEAN PHYSICAL JOURNAL D

Density matrix renormalization group forab initioCalculations and associated dynamic correlation methods: A review of theory and applications

(2014) Takeshi Yanai et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Linear response theory for the density matrix renormalization group: Efficient algorithms for strongly correlated excited states

(2014) Naoki Nakatani et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: Four-component density matrix renormalization group

(2014) Stefan Knecht et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: A flexible multi-reference perturbation theory by minimizing the Hylleraas functional with matrix product states

(2014) Sandeep Sharma et al.   JOURNAL OF CHEMICAL PHYSICS

Low-energy spectrum of iron–sulfur clusters directly from many-particle quantum mechanics

(2014) Sandeep Sharma et al.   Nature Chemistry

Investigation of metal–insulator-like transition through theab initiodensity matrix renormalization group approach

(2014) E. Fertitta et al.   PHYSICAL REVIEW B

Efficient tree tensor network states (TTNS) for quantum chemistry: Generalizations of the density matrix renormalization group algorithm

(2013) Naoki Nakatani et al.   JOURNAL OF CHEMICAL PHYSICS

Entangled quantum electronic wavefunctions of the Mn4CaO5 cluster in photosystem II

(2013) Yuki Kurashige et al.   Nature Chemistry

Real-space parallel density matrix renormalization group

(2013) E. M. Stoudenmire et al.   PHYSICAL REVIEW B

Longitudinal static optical properties of hydrogen chains: Finite field extrapolations of matrix product state calculations

(2012) Sebastian Wouters et al.   JOURNAL OF CHEMICAL PHYSICS

Spin-adapted density matrix renormalization group algorithms for quantum chemistry

(2012) Sandeep Sharma et al.   JOURNAL OF CHEMICAL PHYSICS

More π Electrons Make a Difference: Emergence of Many Radicals on Graphene Nanoribbons Studied by Ab Initio DMRG Theory

(2012) Wataru Mizukami et al.   Journal of Chemical Theory and Computation

Low entanglement wavefunctions

(2012) Garnet Kin-Lic Chan   Wiley Interdisciplinary Reviews-Computational Molecular Science

The Density Matrix Renormalization Group in Quantum Chemistry

(2011) Garnet Kin-Lic Chan et al.   Annual Review of Physical Chemistry

Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: Theory and application to the study of chromium dimer

(2011) Yuki Kurashige et al.   JOURNAL OF CHEMICAL PHYSICS

New electron correlation theories for transition metal chemistry

(2011) Konrad H. Marti et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The density-matrix renormalization group in the age of matrix product states

(2010) Ulrich Schollwöck   ANNALS OF PHYSICS

Improved parallelization techniques for the density matrix renormalization group

(2010) Julián Rincón et al.   COMPUTER PHYSICS COMMUNICATIONS

Matrix product operator representations

(2010) B Pirvu et al.   NEW JOURNAL OF PHYSICS

Optimizing Hartree-Fock orbitals by the density-matrix renormalization group

(2010) H.-G. Luo et al.   PHYSICAL REVIEW B

Simulating strongly correlated quantum systems with tree tensor networks

(2010) V. Murg et al.   PHYSICAL REVIEW B

The Density Matrix Renormalization Group Algorithm in Quantum Chemistry

(2010) Konrad Heinrich Marti et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

High-performance ab initio density matrix renormalization group method: Applicability to large-scale multireference problems for metal compounds

(2009) Yuki Kurashige et al.   JOURNAL OF CHEMICAL PHYSICS

Analytic response theory for the density matrix renormalization group

(2009) Jonathan J. Dorando et al.   JOURNAL OF CHEMICAL PHYSICS

Matrix product states, projected entangled pair states, and variational renormalization group methods for quantum spin systems

(2008) F. Verstraete et al.   ADVANCES IN PHYSICS

Density matrix renormalization group calculations on relative energies of transition metal complexes and clusters

(2008) Konrad H. Marti et al.   JOURNAL OF CHEMICAL PHYSICS

Obtaining the two-body density matrix in the density matrix renormalization group method

(2008) Dominika Zgid et al.   JOURNAL OF CHEMICAL PHYSICS

Orbital optimization in the density matrix renormalization group, with applications to polyenes and β-carotene

(2008) Debashree Ghosh et al.   JOURNAL OF CHEMICAL PHYSICS

Density matrix renormalisation group Lagrangians

(2008) Garnet Kin-Lic Chan   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Infinite time-evolving block decimation algorithm beyond unitary evolution

(2008) R. Orús et al.   PHYSICAL REVIEW B