相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。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)
Quantum embedding electronic structure methods
Adam Wasserman et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2020)
Range-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair density
Anthony Ferte et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Domain Separation in Density Functional Theory
Martin A. Mosquera et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2019)
Energy-weighted density matrix embedding of open correlated chemical fragments
Edoardo Fertitta et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Projected density matrix embedding theory with applications to the two-dimensional Hubbard model
Xiaojie Wu et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Self-Consistent Density-Functional Embedding: A Novel Approach for Density-Functional Approximations
Uliana Mordovina et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Multiconfigurational Self-Consistent Field Theory with Density Matrix Embedding: The Localized Active Space Self-Consistent Field Method
Matthew R. Hermes et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Projected site-occupation embedding theory
Bruno Senjean
PHYSICAL REVIEW B (2019)
Dynamical configuration interaction: Quantum embedding that combines wave functions and Green's functions
Marc Dvorak et al.
PHYSICAL REVIEW B (2019)
Model Hamiltonian for strongly correlated systems: Systematic, self-consistent, and unique construction
Ryan Requist et al.
PHYSICAL REVIEW B (2019)
A real-time extension of density matrix embedding theory for non-equilibrium electron dynamics
Joshua S. Kretchmer et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Combining Wave Function Methods with Density Functional Theory for Excited States
Soumen Ghosh et al.
CHEMICAL REVIEWS (2018)
Quantum system partitioning at the single-particle level
Adrian H. Muhlbach et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Multiple impurities and combined local density approximations in site-occupation embedding theory
Bruno Senjean et al.
THEORETICAL CHEMISTRY ACCOUNTS (2018)
Site-occupation embedding theory using Bethe ansatz local density approximations
Bruno Senjean et al.
PHYSICAL REVIEW B (2018)
Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems
Laura Gagliardi et al.
ACCOUNTS OF CHEMICAL RESEARCH (2017)
Local density approximation in site-occupation embedding theory
Bruno Senjean et al.
MOLECULAR PHYSICS (2017)
Generalized Self-Energy Embedding Theory
Tran Nguyen Lan et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)
Finite temperature quantum embedding theories for correlated systems
Dominika Zgid et al.
NEW JOURNAL OF PHYSICS (2017)
Multitier self-consistent GW plus EDMFT
F. Nilsson et al.
PHYSICAL REVIEW MATERIALS (2017)
Exact ensemble density functional theory for excited states in a model system: Investigating the weight dependence of the correlation energy
Killian Deur et al.
PHYSICAL REVIEW B (2017)
Quantum Embedding Theories
Qinaing Sun et al.
ACCOUNTS OF CHEMICAL RESEARCH (2016)
Bootstrap embedding: An internally consistent fragment-based method
Matthew Welborn et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
A Practical Guide to Density Matrix Embedding Theory in Quantum Chemistry
Sebastian Wouters et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
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)
Sheng Guo et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Dynamical screening in correlated electron systems-from lattice models to realistic materials
Philipp Werner et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2016)
Avoiding the 4-index transformation in one-body reduced density matrix functional calculations for separable functionals
Klaas J. H. Giesbertz
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
When strong correlations become weak: Consistent merging of GW and DMFT
L. Boehnke et al.
PHYSICAL REVIEW B (2016)
Frozen-Density Embedding Strategy for Multilevel Simulations of Electronic Structure
Tomasz A. Wesolowski et al.
CHEMICAL REVIEWS (2015)
Density matrix embedding in an antisymmetrized geminal power bath
Takashi Tsuchimochi et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Communication: Towards ab initio self-energy embedding theory in quantum chemistry
Tran Nguyen Lan et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
The Hubbard dimer: a density functional case study of a many-body problem
D. J. Carrascal et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2015)
On the exact formulation of multi-configuration density-functional theory: electron density versus orbitals occupation
Emmanuel Fromager
MOLECULAR PHYSICS (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)
Exact Double Counting in Combining the Dynamical Mean Field Theory and the Density Functional Theory
Kristjan Haule
PHYSICAL REVIEW LETTERS (2015)
Density Matrix Embedding: A Strong-Coupling Quantum Embedding Theory
Gerald Knizia et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
The Rayleigh-Schrodinger perturbation series of quasi-degenerate systems
Christian Brouder et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2012)
Spin-adapted density matrix renormalization group algorithms for quantum chemistry
Sandeep Sharma et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Dynamical mean-field theory from a quantum chemical perspective
Dominika Zgid et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Orbital optimization in the density matrix renormalization group, with applications to polyenes and ß-carotene
Debashree Ghosh et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Electronic structure calculations with dynamical mean-field theory
G. Kotliar et al.
REVIEWS OF MODERN PHYSICS (2006)
Strongly correlated materials: Insights from dynamical mean-field theory
G Kotliar et al.
PHYSICS TODAY (2004)
An algorithm for large scale density matrix renormalization group calculations
GKL Chan
JOURNAL OF CHEMICAL PHYSICS (2004)
Long-range-short-range separation of the electron-electron interaction in density-functional theory
J Toulouse et al.
PHYSICAL REVIEW A (2004)
First-principles approach to the electronic structure of strongly correlated systems:: Combining the GW approximation and dynamical mean-field theory -: art. no. 086402
S Biermann et al.
PHYSICAL REVIEW LETTERS (2003)
Extended dynamical mean-field theory and GW method -: art. no. 085120
P Sun et al.
PHYSICAL REVIEW B (2002)
Accurate correlation potentials from integral formulation of density functional perturbation theory
S Ivanov et al.
JOURNAL OF CHEMICAL PHYSICS (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)
Two-site dynamical mean-field theory
M Potthoff
PHYSICAL REVIEW B (2001)