Results 181 to 190 of about 304,578 (296)

An Extended Hückel Theory Parameter Set for Efficient Electronic Structure Calculations of SiGe Alloys

physica status solidi (RRL) – Rapid Research Letters, EarlyView.
A new parameterization of Si and Ge in the framework of the extended Hückel theory is presented. Bandgap and effective mass are calculated for unstrained and biaxially strained SiGe alloys. In SiGeC alloys with C atoms in close proximity, additional bands are observed, which are related to defect states in real crystals.
Daniel Dick, Florian Fuchs, Jörg Schuster, Sibylle Gemming   +3 more
wiley   +1 more source

A Note on Why Low-Symmetry Lanthanide Clusters Can Be Good Single Molecule Magnets. [PDF]

J Am Chem Soc
Waldmann O.
europepmc   +1 more source

Diabatic Hamiltonian matrix elements made simple

Diabatic Hamiltonian matrix elements made simple
With a view to applying the generator coordinate method to large configuration spaces, we propose a simple approximate formula to compute diabatic many-body matrix elements without having to evaluate two-body interaction matrix elements. The method is illustrated with two analytically solvable Hamiltonians based on the harmonic oscillator.
openaire  

Unveiling Hidden Features of Strongly Correlated Quantum Systems Through a Complex‐Network Analysis

Advanced Quantum Technologies, EarlyView.
By applying complex network theory, we report a fundamental and previously unobserved phenomenon in the finite‐size Kitaev model: a singular point at which uniform, nonzero entanglement emerges among all fermion pairs, forming a complete entanglement network.
Guillem Llodrà, Roberta Zambrini, Gian Luca Giorgi   +2 more
wiley   +1 more source

Dissipation induced localization-delocalization transition in flat band systems. [PDF]

iScience
Xu M, Wei Z, Jiang XP, Pan L.
europepmc   +1 more source

Quantum Iterative Methods for Solving Differential Equations with Application to Computational Fluid Dynamics

Advanced Quantum Technologies, EarlyView.
Quantum algorithms for differential equations are developed with applications in computational fluid dynamics. The methods follow an iterative simulation framework, implementing Jacobi and Gauss–Seidel schemes on quantum registers through linear combinations of unitaries.
Chelsea A. Williams, Antonio A. Gentile, Vincent E. Elfving, Daniel Berger, Oleksandr Kyriienko   +4 more
wiley   +1 more source

An Orthogonal Electronic State View on Charge Delocalization and Transfer. [PDF]

J Phys Chem A
Folkestad SD, Høyvik IM.
europepmc   +1 more source

The Smearing of Quasi‐Particles: Signatures in the Entanglement Entropy of Excited Many‐Particle Systems

Advanced Quantum Technologies, EarlyView.
Entanglement reveals hidden structure in quantum matter. We explore how quasi‐particles shape the crossover from area‐law to volume‐law entanglement, using models from spinless fermions to SYK. Our results show a striking linear growth of entanglement with energy, explained as a hallmark of quasi‐particles, offering new insight into the entanglement ...
Jagannath Sutradhar, Jonathan Ruhman, Avraham Klein, Dimitri Gutman, Richard Berkovits   +4 more
wiley   +1 more source

Sparse Bayesian multidimensional scaling(s). [PDF]

Comput Stat
Sheth A, Smith A, Holbrook AJ.
europepmc   +1 more source

Digital Twin Simulations Toolbox of the Nitrogen‐Vacancy Center in Diamond

Advanced Quantum Technologies, EarlyView.
The Nitrogen‐vacancy (NV) center in diamond is a key platform within quantum technologies. This work introduces a Python based digital‐twin of the NV, where the spin dynamics of the system is simulated without relying on commonly used approximations, such as the adoption of rotating frame. The digital‐twin is validated through three different examples,
Lucas Tsunaki, Anmol Singh, Sergei Trofimov, Boris Naydenov   +3 more
wiley   +1 more source