Related Experiment Video
Updated: Sep 21, 2025

Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform
Published on: August 2, 2019
Green's Function Formulation of Quantum Defect Embedding Theory
Nan Sheng1, Christian Vorwerk2, Marco Govoni2,3
1Department of Chemistry, University of Chicago, Chicago, Illinois 60637, United States.
Abstract:
We present a Green's function formulation of the quantum defect embedding theory (QDET) where a double counting scheme is rigorously derived within the G0W0 approximation. We then show the robustness of our methodology by applying the theory with the newly derived scheme to several defects in diamond. Additionally, we discuss a strategy to obtain converged results as a function of the size and composition of the active space. Our results show that QDET is a promising approach to investigate strongly correlated states of defects in solids.
More Related Videos
06:57Theoretical Calculation and Experimental Verification for Dislocation Reduction in Germanium Epitaxial Layers with Semicylindrical Voids on Silicon
Published on: July 17, 2020
11:14Comprehensive Characterization of Extended Defects in Semiconductor Materials by a Scanning Electron Microscope
Published on: May 28, 2016
Related Concept Videos
The Pauli Exclusion Principle
The Quantum-Mechanical Model of an Atom
The de Broglie Wavelength
Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
Electrostatic Boundary Conditions
The surface integral of an electric field is given by Gauss's law in integral form and is related to...
Gauss's Law: Problem-Solving