Related references
Note: Only part of the references are listed.Enhancement of superexchange due to synergetic breathing and hopping in corner-sharing cuprates
Nikolay A. Bogdanov et al.
NATURE PHYSICS (2022)
Orbital structure of the effective pairing interaction in the high-temperature superconducting cuprates
Peizhi Mai et al.
NPJ QUANTUM MATERIALS (2021)
Low communication high performance ab initio density matrix renormalization group algorithms
Huanchen Zhai et al.
JOURNAL OF CHEMICAL PHYSICS (2021)
Efficient Formulation of Ab Initio Quantum Embedding in Periodic Systems: Dynamical Mean-Field Theory
Tianyu Zhu et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)
Efficient Implementation of Ab Initio Quantum Embedding in Periodic Systems: Density Matrix Embedding Theory
Zhi-Hao Cui et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)
Comment on Apical Charge Flux-Modulated In-Plane Transport Properties of Cuprate Superconductors
E. Pavarini et al.
PHYSICAL REVIEW LETTERS (2020)
Recent developments in the PySCF program package
Qiming Sun et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Absence of Superconductivity in the Pure Two-Dimensional Hubbard Model
Mingpu Qin et al.
PHYSICAL REVIEW X (2020)
Many-Body Electronic Structure of NdNiO2 and CaCuO2
Jonathan Karp et al.
PHYSICAL REVIEW X (2020)
Unusual Dynamic Charge Correlations in Simple-Tetragonal HgBa2CuO4+δ
B. Yu et al.
PHYSICAL REVIEW X (2020)
Ground-state phase diagram of the three-band Hubbard model from density matrix embedding theory
Zhi-Hao Cui et al.
PHYSICAL REVIEW RESEARCH (2020)
Projected density matrix embedding theory with applications to the two-dimensional Hubbard model
Xiaojie Wu et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Coupled Cluster as an Impurity Solver for Green's Function Embedding Methods
Avijit Shee et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Coupled-cluster impurity solvers for dynamical mean-field theory
Tianyu Zhu et al.
PHYSICAL REVIEW B (2019)
PYSCF: the Python-based simulations of chemistry framework
Qiming Sun et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2018)
A real-time extension of density matrix embedding theory for non-equilibrium electron dynamics
Joshua S. Kretchmer et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Apical Charge Flux-Modulated In-Plane Transport Properties of Cuprate Superconductors
Sooran Kim et al.
PHYSICAL REVIEW LETTERS (2018)
Antiferromagnetic ground state of La2CuO4: A parameter-free ab initio description
Christopher Lane et al.
PHYSICAL REVIEW B (2018)
Gaussian and plane-wave mixed density fitting for periodic systems
Qiming Sun et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Gaussian-Based Coupled-Cluster Theory for the Ground-State and Band Structure of Solids
James McClain et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Influence of apical oxygen on the extent of in-plane exchange interaction in cuprate superconductors
Y. Y. Peng et al.
NATURE PHYSICS (2017)
Stripe order in the underdoped region of the two-dimensional Hubbard model
Bo-Xiao Zheng et al.
SCIENCE (2017)
Doping dependence of the magnetic excitations in La2-xSrxCuO4
D. Meyers et al.
PHYSICAL REVIEW B (2017)
Cluster size convergence of the density matrix embedding theory and its dynamical cluster formulation: A study with an auxiliary-field quantum Monte Carlo solver
Bo-Xiao Zheng et al.
PHYSICAL REVIEW B (2017)
Quantum Embedding Theories
Qinaing Sun et al.
ACCOUNTS OF CHEMICAL RESEARCH (2016)
A Practical Guide to Density Matrix Embedding Theory in Quantum Chemistry
Sebastian Wouters et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Ground-state phase diagram of the square lattice Hubbard model from density matrix embedding theory
Bo-Xiao Zheng et al.
PHYSICAL REVIEW B (2016)
First-principles treatment of Mott insulators: linearized QSGW+DMFT approach
Sangkook Choi et al.
NPJ QUANTUM MATERIALS (2016)
The ab-initio density matrix renormalization group in practice
Roberto Olivares-Amaya et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Linear spin wave theory for single-Q incommensurate magnetic structures
S. Toth et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2015)
Doping asymmetry and striping in a three-orbital CuO2 Hubbard model
Steven R. White et al.
PHYSICAL REVIEW B (2015)
Spectral functions of strongly correlated extended systems via an exact quantum embedding
George H. Booth et al.
PHYSICAL REVIEW B (2015)
Systematically improvable multiscale solver for correlated electron systems
Alexei A. Kananenka et al.
PHYSICAL REVIEW B (2015)
Solutions of the Two-Dimensional Hubbard Model: Benchmarks and Results from a Wide Range of Numerical Algorithms
J. P. F. LeBlanc et al.
PHYSICAL REVIEW X (2015)
Effect of electron correlation on the electronic structure and spin-lattice coupling of high-Tc cuprates: Quantum Monte Carlo calculations
Lucas K. Wagner et al.
PHYSICAL REVIEW B (2014)
Ab initio Quantum Monte Carlo Calculations of Spin Superexchange in Cuprates: The Benchmarking Case of Ca2CuO3
Kateryna Foyevtsova et al.
PHYSICAL REVIEW X (2014)
Intrinsic Atomic Orbitals: An Unbiased Bridge between Quantum Theory and Chemical Concepts
Gerald Knizia
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Scaling of the transition temperature of hole-doped cuprate superconductors with the charge-transfer energy
C. Weber et al.
EPL (2012)
Spin-adapted density matrix renormalization group algorithms for quantum chemistry
Sandeep Sharma et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
The density-matrix renormalization group in the age of matrix product states
Ulrich Schollwoeck
ANNALS OF PHYSICS (2011)
The Density Matrix Renormalization Group in Quantum Chemistry
Garnet Kin-Lic Chan et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 62 (2011)
Electronic structure of HgBa2Can-1CunO2n+2 (n=1, 2, 3) superconductor parent compounds from periodic hybrid density functional theory
Iberio de P. R. Moreira et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Strength of correlations in electron- and hole-doped cuprates
Cedric Weber et al.
NATURE PHYSICS (2010)
Two-Orbital Model Explains the Higher Transition Temperature of the Single-Layer Hg-Cuprate Superconductor Compared to That of the La-Cuprate Superconductor
Hirofumi Sakakibara et al.
PHYSICAL REVIEW LETTERS (2010)
Dynamical Screening in Correlated Electron Materials
Philipp Werner et al.
PHYSICAL REVIEW LETTERS (2010)
Low-energy theory of the t-t′-t-U Hubbard model at half-filling: Interaction strengths in cuprate superconductors and an effective spin-only description of La2CuO4
J-Y. P. Delannoy et al.
PHYSICAL REVIEW B (2009)
Combined density functional and dynamical cluster quantum Monte Carlo calculations of the three-band Hubbard model for hole-doped cuprate superconductors
P. R. C. Kent et al.
PHYSICAL REVIEW B (2008)
Neel order in square and triangular lattice Heisenberg models
Steven R. White et al.
PHYSICAL REVIEW LETTERS (2007)
Optimized accurate auxiliary basis sets for RI-MP2 and RI-CC2 calculations for the atoms Rb to Rn
Arnim Hellweg et al.
THEORETICAL CHEMISTRY ACCOUNTS (2007)
Orbital density functional as a means to restore the discontinuities in the total-energy derivative and the exchange-correlation potential
V. I. Anisimov et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2007)
Electronic structure calculations with dynamical mean-field theory
G. Kotliar et al.
REVIEWS OF MODERN PHYSICS (2006)
Complexity in strongly correlated electronic systems
E Dagotto
SCIENCE (2005)
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
F Weigend et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
An algorithm for large scale density matrix renormalization group calculations
GKL Chan
JOURNAL OF CHEMICAL PHYSICS (2004)
Preparation and optical properties of single-crystalline CaCuO2 thin films with infinite layer structure
D Kan et al.
PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS (2004)
Putting error bars on the ab initio theoretical estimates of the magnetic coupling constants:: The parent compounds of superconducting cuprates as a case study
D Muñoz et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Electronic correlation effects in transition-metal sulfides
A Rohrbach et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2003)
Chemistry and structure of Hg-based superconducting Cu mixed oxides
EV Antipov et al.
SUPERCONDUCTOR SCIENCE & TECHNOLOGY (2002)
Highly correlated calculations with a polynomial cost algorithm: A study of the density matrix renormalization group
GKL Chan et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Band-structure trend in hole-doped cuprates and correlation with Tc max -: art. no. 047003
E Pavarini et al.
PHYSICAL REVIEW LETTERS (2001)
Spin waves and electronic interactions in La2CuO4
R Coldea et al.
PHYSICAL REVIEW LETTERS (2001)
Enhancement of Tc in HgBa2Ca2Cu3O8+δ by fluorination -: art. no. 064511
KA Lokshin et al.
PHYSICAL REVIEW B (2001)
Advances in the physics of high-temperature superconductivity
J Orenstein et al.
SCIENCE (2000)
Accurate prediction of large antiferromagnetic interactions in high-Tc HgBa2Can-1CunO2n+2+δ (n=2, 3) superconductor parent compounds
D Muñoz et al.
PHYSICAL REVIEW LETTERS (2000)