Related Experiment Video
Updated: May 30, 2026

12:11
Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Multi-scale extensions to quantum cluster methods for strongly correlated electron systems
Summary
A new multi-scale approach accurately models strongly correlated electron systems by combining different methods for various length scales. This method shows excellent agreement with quantum Monte Carlo calculations for the Hubbard model.
Area of Science:
- Condensed Matter Physics
- Quantum Many-Body Theory
Background:
- Strongly correlated electron systems present significant computational challenges.
- Existing methods struggle to capture correlations across all relevant length scales.
Purpose of the Study:
- Introduce a numerically implementable multi-scale many-body approach for strongly correlated electron systems.
- Develop a method that approximates correlations based on their strength at different length scales.
Main Methods:
- Extend quantum cluster methods to incorporate multi-scale correlation approximations.
- Treat short length scales explicitly, long scales with dynamical mean-field theory, and intermediate scales diagrammatically.
- Apply the method to the one-dimensional Hubbard model.
Main Results:
- The developed multi-scale self-energy demonstrates strong quantitative agreement with quantum Monte Carlo results.
- Achieved accurate results comparable to more computationally intensive methods.
Conclusions:
- The multi-scale approach offers an efficient and accurate way to study strongly correlated electron systems.
- This method provides a viable alternative for complex quantum many-body problems.
More Related Videos
Related Concept Videos
π Electron Effects on Chemical Shift: Overview
An applied magnetic field causes loosely bound π-electrons in organic molecules to circulate, producing a local or induced diamagnetic field over a large spatial volume. As the molecules tumble in solution, the field generated by π-electrons in spherical substituents results in a zero net field. However, the net field generated by π-electrons in non-spherical substituents is not zero. The effect of this induced field depends on the orientation of the molecule with respect to B0, resulting in...
Trends in Lattice Energy: Ion Size and Charge
An ionic compound is stable because of the electrostatic attraction between its positive and negative ions. The lattice energy of a compound is a measure of the strength of this attraction. The lattice energy (ΔHlattice) of an ionic compound is defined as the energy required to separate one mole of the solid into its component gaseous ions. For the ionic solid sodium chloride, the lattice energy is the enthalpy change of the process:
2D NMR: Overview of Heteronuclear Correlation Techniques
Heteronuclear correlation spectroscopy is an analytical technique that investigates the coupling between different types of nuclei, often a proton and an X-nucleus, such as carbon-13 or nitrogen-15. This method is commonly used in nuclear magnetic resonance (NMR) spectroscopy to gain insights into complex chemical compounds' structural and compositional aspects. A typical heteronuclear correlation spectrum displays X-nucleus chemical shifts on one axis and a proton spectrum on the other axis.
Crystal Field Theory - Octahedral Complexes
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
Molecular Orbital Theory II
Molecular Orbital Energy Diagrams
Hybridization of Atomic Orbitals II
sp3d and sp3d 2 Hybridization

