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The Green's function coupled cluster (GFCC) method is a powerful many-body tool for computing the electronic structure of molecular and periodic systems, especially when electrons of the system are strongly correlated. However, for the GFCC…

Computational Physics · Physics 2019-04-18 Bo Peng , Roel Van Beeumen , David B. Williams-Young , Karol Kowalski , Chao Yang

Structural stability of paramagnetic (PM) body-centered cubic (bcc) Fe under pressure is investigated based on first-principles phonon calculations. Spin configurations of the PM phase are approximated using a binary special quasi-random…

Materials Science · Physics 2015-06-22 Yuji Ikeda , Atsuto Seko , Atsushi Togo , Isao Tanaka

Great progress has been made in the last several years towards understanding the properties of disordered electronic systems. In part, this is made possible by recent advances in quantum effective medium methods which enable the study of…

Disordered Systems and Neural Networks · Physics 2019-05-09 Hanna Terletska , Yi Zhang , Ka Ming Tam , Tom Berlijn , L. Chioncel , N. S. Vidhyadhiraja , Mark Jarrell

We demonstrate using the classical density functional theory (DFT) model that an intermediate degree of mass localization in the amorphous state is essential for producing the boson peak. The localization length $\ell$ is identified from…

Statistical Mechanics · Physics 2013-03-19 Leishangthem Premkumar , Shankar P. Das

Phonons crucially impact a variety of properties of organic semiconductor materials. For instance, charge- and heat transport depend on low-frequency phonons, while for other properties, such as the free energy, especially high-frequency…

We study the localization properties of normal modes in harmonic chains with mass and spring weak disorder. Using a perturbative approach, an expression for the localization length is obtained, which is valid for arbitrary correlations of…

Disordered Systems and Neural Networks · Physics 2023-03-09 I. F. Herrera-Gonzalez , J. A. Mendez-Bermudez

The disorder averaged single-particle Green's function of electrons subject to a time-dependent random potential with long-range spatial correlations is calculated by means of bosonization in arbitrary dimensions. For static disorder our…

Condensed Matter · Physics 2009-10-28 Peter Kopietz

A complex approach phonon quantum discrete model (PQDM) was developed to describe dynamics, kinetics and statistics of phonons in carbon nanostructures with zero-chirality of both zig-zag and armchair geometry. The model allows include into…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 E. Ya. Glushko , V. N. Evteev , M. V. Moiseenko , N. A. Slusarenko , A. A. Zakhidov

Clustering is a central tool in biomedical research for discovering heterogeneous patient subpopulations, where group boundaries are often diffuse rather than sharply separated. Traditional methods produce hard partitions, whereas soft…

Methodology · Statistics 2026-01-07 Qiuyi Wu , Zihan Zhu , Anru R. Zhang

We present the itinerant coherent-potential approximation(ICPA), an analytic, translationally invariant and tractable form of augmented-space-based, multiple-scattering theory in a single-site approximation for harmonic phonons in realistic…

Materials Science · Physics 2009-11-07 Subhradip Ghosh , Paul L. Leath , Morrel H. Cohen

Disorder-induced Anderson localization in quasiparticle transport is a challenging problem to address, even more so in the presence of dissipation as the symptoms of disorder-induced localization are very closely simulated by the absorption…

Optics · Physics 2018-11-21 M. Balasubrahmaniyam , Ajay Nahata , Sushil Mujumdar

We use the recently developed finite cluster typical medium approach to study the Anderson localization transition in three dimensions. Applying our method to the box and binary alloy disorder distributions, we find a fast convergence with…

Disordered Systems and Neural Networks · Physics 2021-04-07 H. Terletska , A. Moilanen , K. -M. Tam , Y. Zhang , Y. Wang , M. Eisenbach , N. S. Vidhyadhiraja , L. Chioncel , J. Moreno

We study by exact diagonalization the localization properties of phonons in mass-disordered harmonic crystals of dimension $d=1,2,3$. We focus on the behavior of the typical Inverse Participation Ratio $Y_2(\omega,L)$ as a function of the…

Disordered Systems and Neural Networks · Physics 2015-03-13 Cecile Monthus , Thomas Garel

Thermal properties are of great interest in modern electronic devices and nanostructures. Calculating these properties is straightforward when the device is made from a pure material, but problems arise when alloys are used. Specifically,…

Mesoscale and Nanoscale Physics · Physics 2015-06-22 Timothy B. Boykin , Arvind Ajoy , Hesameddin Ilatikhameneh , Michael Povolotskyi , Gerhard Klimeck

Here we investigate white noise squeezing in the frequency domain of classical parametrically-driven resonators with added noise. We use Green's functions to analyse the response of resonators to added noise. In one approach, we obtain the…

Applied Physics · Physics 2025-05-13 Adriano A. Batista , Raoni S. N. Moreira , A. A. Lisboa de Souza

We employ detuning-dependent decay-rate measurements of a quantum dot in a photonic-crystal cavity to study the influence of phonon dephasing in a solid-state quantum-electrodynamics experiment. The experimental data agree with a…

Mesoscale and Nanoscale Physics · Physics 2013-08-08 K. H. Madsen , P. Kaer , A. Kreiner-Møller , S. Stobbe , A. Nysteen , J. Mørk , P. Lodahl

We introduce a unified approach to states of matter (solid, liquid and gas) and describe the thermodynamics of the pressure-temperature phase diagram in terms of phonon excitations. We derive the effective Hamiltonian with low-energy cutoff…

Statistical Mechanics · Physics 2015-12-23 Dima Bolmatov , Dmitry Zavyalov , Mikhail Zhernenkov , Edvard T. Musaev , Yong Q. Cai

The Green function formalism with a consistent account for phonon coupling (PC), based on the self-consistent theory of finite Fermi-systems, is applied for pygmy- and giant multipole resonances in magic nuclei with the aim to consider…

Nuclear Theory · Physics 2020-03-06 S. Kamerdzhiev , M. Shitov

Since it is now possible to record vibrational spectra at nanometer scales in the electron microscope it is of interest to explore whether defects such as dislocations or grain boundaries will result in measurable changes of the spectra.…

Materials Science · Physics 2022-06-22 Peter Rez , Tara Boland , Christian Elsässer , Arunima Singh

We develop a variational Monte Carlo (VMC) method for electron-phonon coupled systems. The VMC method has been extensively used for investigating strongly correlated electrons over the last decades. However, its applications to…

Strongly Correlated Electrons · Physics 2014-06-02 Takahiro Ohgoe , Masatoshi Imada