Cluster-configurational study of G-center in Silicon

• URL: http://arxiv.org/abs/2607.14083v1
• Date: Wed, 15 Jul 2026 17:57:32 GMT
• Title: Cluster-configurational study of G-center in Silicon
• Abstract summary: In this paper, we use the multiconfigurational self consistent field (MCSCF) combined with DFT optimized geometry to investigate the spin and optical properties of G centers in Silicon.
• Score: 0.0
• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• Abstract: Understanding the properties of defects is imperative for proper use for variety of applications including quantum computing. In this paper, we use the multiconfigurational self consistent field (MCSCF) combined with DFT optimized geometry in order to investigate the spin and optical properties of G centers in Silicon. By utilizing quantum chemistry based methods, we show excellent agreement with the Zero Phonon Line and Zero Field Splitting Tensor components of the G center. We also calculate the theoretical spin decoherence time of the G centers using Cluster Correlation Expansion (CCE) methods.

Related papers

• Conceptual and Geometric Foundations for a Teleparallel Approach to Quantum Gravity [45.88028371034407]
  We revisit quantum field theory in curved spacetime as a semi-classical framework for quantum matter on classical geometries.<n>We outline a teleparallel framework based on coframe and spin-connection variables, where gravity is encoded in torsion rather than string curvature.
  arXiv  Detail & Related papers  (2026-06-08T15:02:26Z)
• Coupled Cluster con MōLe: Molecular Orbital Learning for Neural Wavefunctions [34.53033480184221]
  Density functional theory (DFT) is the most widely used method for calculating molecular properties.<n> Coupled-cluster (CC) theory is the most successful method for achieving accuracy beyond DFT.<n>We present the Molecular Orbital Learning (MLe) architecture, an equivariant machine learning model that directly predicts CC's core mathematical objects.
  arXiv  Detail & Related papers  (2026-02-23T18:54:46Z)
• Orbital-Optimized Unitary Coupled Cluster for Indirect Nuclear Spin-Spin Coupling Constants within a Quantum Linear Response Framework [0.0]
  We present a quantum linear response (qLR) approach within an active-space framework for computing indirect nuclear spin-spin coupling constants.<n>We examine the role of orbital optimization and find that ooUCC affects the computed couplings markedly.
  arXiv  Detail & Related papers  (2025-11-12T20:40:11Z)
• Constrained Centroid Clustering: A Novel Approach for Compact and Structured Partitioning [0.0]
  Constrained Centroid Clustering (CCC) is a method that extends classical centroid-based clustering.<n>CCC achieves more compact clusters by reducing radial spread while preserving angular structure.<n>The proposed approach is suitable for applications requiring structured clustering with spread control, including sensor networks, collaborative robotics, and interpretable pattern analysis.
  arXiv  Detail & Related papers  (2025-08-18T09:30:54Z)
• Molecular Properties in Quantum-Classical Auxiliary-Field Quantum Monte Carlo: Correlated Sampling with Application to Accurate Nuclear Forces [1.2189422792863451]
  We extend correlated sampling from classical auxiliary-field quantum Monte Carlo to the quantum-classical (QCAFQMC) framework.<n>We demonstrate significant improvements over single-reference methods in force evaluations for N$ wave$ and stretched linear H$_4$, particularly in strongly correlated regions.<n>We also apply our methodology to the MEA-CO$$ carbon capture reaction, employing quantum information metrics for active space selection and matchgate shadows.
  arXiv  Detail & Related papers  (2025-07-23T23:51:10Z)
• Quantum State Transfer in Interacting, Multiple-Excitation Systems [41.94295877935867]
  Quantum state transfer (QST) describes the coherent passage of quantum information from one node to another. We describe Monte Carlo techniques which enable the discovery of a Hamiltonian that gives high-fidelity QST. The resulting Jaynes-Cummings-Hubbard and periodic Anderson models can, in principle, be engineered in appropriate hardware to give efficient QST.
  arXiv  Detail & Related papers  (2024-05-10T23:46:35Z)
• Neutron-nucleus dynamics simulations for quantum computers [49.369935809497214]
  We develop a novel quantum algorithm for neutron-nucleus simulations with general potentials. It provides acceptable bound-state energies even in the presence of noise, through the noise-resilient training method. We introduce a new commutativity scheme called distance-grouped commutativity (DGC) and compare its performance with the well-known qubit-commutativity scheme.
  arXiv  Detail & Related papers  (2024-02-22T16:33:48Z)
• Periodic Coupled-Cluster Green's Function for Photoemission Spectra of Realistic Solids [1.1470070927586016]
  We present an efficient implementation of coupled-cluster Green's function (CCGF) method for simulating photoemission spectra of periodic systems. We propose an active-space self-energy correction scheme by combining CCGF with cheaper many-body perturbation theory (GW) and implement the model order reduction (MOR) frequency perturbation technique. We find that the active-space self-energy correction and MOR techniques significantly reduce the computational cost of CCGF while maintaining the high accuracy.
  arXiv  Detail & Related papers  (2022-08-16T00:28:05Z)
• Effect of Localization on Photoluminescence and Zero-Field Splitting of Silicon Color Centers [3.324869575908454]
  A number of silicon defect centers emit single photons in the telecommunication $O$-band. The two-carbon G-center, self-interstitial W-center, and spin-$1/2$ T-center are the most intensively studied silicon defect centers. Motivation is provided for how these properties are intimately related to the localization of electronic states in the defect centers.
  arXiv  Detail & Related papers  (2022-06-10T01:02:08Z)
• Density-Based Clustering with Kernel Diffusion [59.4179549482505]
  A naive density corresponding to the indicator function of a unit $d$-dimensional Euclidean ball is commonly used in density-based clustering algorithms. We propose a new kernel diffusion density function, which is adaptive to data of varying local distributional characteristics and smoothness.
  arXiv  Detail & Related papers  (2021-10-11T09:00:33Z)
• Fast Gravitational Approach for Rigid Point Set Registration with Ordinary Differential Equations [79.71184760864507]
  This article introduces a new physics-based method for rigid point set alignment called Fast Gravitational Approach (FGA) In FGA, the source and target point sets are interpreted as rigid particle swarms with masses interacting in a globally multiply-linked manner while moving in a simulated gravitational force field. We show that the new method class has characteristics not found in previous alignment methods.
  arXiv  Detail & Related papers  (2020-09-28T15:05:39Z)
• Tensor network models of AdS/qCFT [69.6561021616688]
  We introduce the notion of a quasiperiodic conformal field theory (qCFT) We show that qCFT can be best understood as belonging to a paradigm of discrete holography.
  arXiv  Detail & Related papers  (2020-04-08T18:00:05Z)

This list is automatically generated from the titles and abstracts of the papers in this site.

This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.