Related papers: Adaptively compressed polarizability operator for …
We present a detailed study of a phonon-assisted incoherent excitation mechanism of single quantum dots. A spectrally-detuned laser couples to a quantum dot transition by mediation of acoustic phonons, whereby excitation efficiencies up to…
Starting from recent advances in the first-principles modeling of polarons, variational polaron equations in the strong-coupling adiabatic approximation are formulated in Bloch space. In this framework, polaron formation energy as well as…
We report first principles density functional studies using plane wave basis sets and pseudopotentials and all electron linear augmented plane wave (LAPW) of the relative stability of various ferroelectric and antiferroelectric supercells…
The electronic structure of condensed matter can be significantly affected by the electron-phonon interaction, leading to important phenomena such as electrical resistance, superconductivity or the formation of polarons. This interaction is…
Nonlinear distortion of an OFDM signal is a serious problem when it comes to energy-efficient Power Amplifier(PA) utilization. Typically, Peak-to-Average Power Ratio(PAPR) reduction algorithms and digital predistortion algorithms are used…
We formulate a first-principle scheme for structural optimization at finite temperature ($T$) based on the self-consistent phonon (SCP) theory, which accurately takes into account the effect of strong phonon anharmonicity. The…
A microscopic theory of optical transitions in quantum dots with carrier-phonon interaction is developed. Virtual transitions into higher confined states with acoustic phonon assistance add a quadratic phonon coupling to the standard linear…
Understanding and simulating the thermodynamic and dynamical properties of materials affected by strong ionic anharmonicity is a central challenge in material science. Much interest is in material displaying critical displacive behaviour,…
The discovery of molecules with tailored optoelectronic properties such as specific frequency and intensity of absorption or emission is a major challenge in creating next-generation organic light-emitting diodes (OLEDs) and photovoltaics.…
In this work, a simple and fundamental numeric scheme dubbed as ab-initio optimization principle (AOP) is proposed for the ground states of translational invariant strongly-correlated quantum lattice models. The idea is to transform a…
The effective management of stochastic characteristics of renewable power generations is vital for ensuring the stable and secure operation of power systems. This paper addresses the task of optimizing the chance-constrained…
We present an efficient perturbative method to obtain both static and dynamic polarizabilities and hyperpolarizabilities of complex electronic systems. This approach is based on the solution of a frequency dependent Sternheimer equation,…
The rapid growth in computing demands, particularly driven by artificial intelligence applications, has begun to exceed the capabilities of traditional electronic hardware. Optical computing offers a promising alternative due to its…
Current quantum computers suffer from noise due to lack of error correction. Several techniques to mitigate the effect of noise have been studied, in particular to extract the expectation value of observables. One such technique, circuit…
Kohn-Sham spin-density functional theory provides an efficient and accurate model to study electron-electron interaction effects in quantum dots, but its application to large systems is a challenge. An efficient algorithm for the…
Compressed sensing is a method that allows a significant reduction in the number of samples required for accurate measurements in many applications in experimental sciences and engineering. In this work, we show that compressed sensing can…
Combining density-matrix and Lanczos algorithms we propose a new optimized phonon approach for finite-cluster diagonalizations of interacting electron-phonon systems. To illustrate the efficiency and reliability of our method, we…
The real-space density-functional perturbation theory (DFPT) for the computations of the response properties with respect to the atomic displacement and homogeneous electric field perturbation has been recently developed and implemented…
We develop an all-electron quantum Monte Carlo (QMC) method for solids that does not rely on pseudopotentials, and use it to construct a primary ultra-high pressure calibration based the equation of state of cubic boron nitride(c-BN). We…
Recent investigations have demonstrated that multi-phonon scattering processes substantially influence the thermal conductivity of materials, posing significant computational challenges for classical simulations as the complexity of phonon…