相关论文: Polaritonic response theory for exact and approxim…
The emergence of complex macroscopic phenomena from a small set of parameters and microscopic concepts demonstrates the power and beauty of physical theories. A theory which relates the wealth of data and peculiarities found in nuclei to…
Ground state eigenvectors of the reduced Bardeen-Cooper-Schrieffer Hamiltonian are employed as a wavefunction ansatz to model strong electron correlation in quantum chemistry. This wavefunction is a product of weakly-interacting pairs of…
Third order anharmonic scattering in light-matter systems can drive a wide variety of practical and physically interesting processes from lasing to polariton condensation. Motivated by recent experimental results in the nonlinear optics of…
Recent experiments have demonstrated that molecular polaritons, hybrid states of light and matter formed by the strong coupling between molecular electronic or vibrational excitations and an optical cavity, can substantially modify the…
Understanding condensed-phase polariton experiments requires accurately accounting for both realistic cavity geometries and the interplay between polaritons and material dark modes arising from microscopic molecular interactions. The…
Coupling between light and material excitations underlies a wide range of optical phenomena. Polaritons are eigenstates of a coupled system with hybridized wave function. Owing to their hybrid composition, polaritons exhibit at the same…
Accurate modelling of electrostatic interactions and charge transfer is fundamental to computational chemistry, yet most machine learning interatomic potentials (MLIPs) rely on local atomic descriptors that cannot capture long-range…
Many-body techniques for the calculation of quasielastic nuclear matter response functions in the fully antisymmetrized random phase approximation on a Hartree-Fock basis are discussed in detail. The methods presented here allow for an…
The polaronic system consisting of an impurity in a dilute Bose-Einstein condensate is considered in the presence of a narrow Feshbach resonance. For this purpose a coupled-channel model is used, which at the mean field level predicts the…
We develop a quantum model for the calculation of the gain of phonon-polariton intersubband lasers. The polaritonic gain arizes from the interaction between the electrons confined in a quantum well structure and the phonon confined in one…
The complexity of the standard hierarchy of quantum chemistry methods is not invariant to the choice of representation. This work explores how the scaling of common quantum chemistry methods can be reduced using real-space, momentum-space,…
Developing a bottom-up (molecular) theory for the electromechanical response of aperiodic materials is a prerequisite for understanding the piezoelectric properties of systems such as nanoparticles, (non-crystalline) polymers, or…
A quantum theory of dispersion for an inhomogeneous solid is obtained, from a starting point of multipolar coupled atoms interacting with an electromagnetic field. The dispersion relations obtained are equivalent to the standard classical…
In our work we construct a Hamiltonian, whose eigenstates approximate the solutions of the self-consistent Hartree-Fock equations for nonrelativistic atoms and ions. Its eigenvalues are given by completely algebraic expressions and the…
In this chapter we focus first on the theoretical methods and relevant computational approaches to calculate the electronic structure of atoms, molecules, and clusters containing heavy elements for which relativistic effects become…
The rapid progress in quantum-optical experiments especially in the field of cavity quantum electrodynamics and nanoplasmonics, allows to substantially modify and control chemical and physical properties of atoms, molecules and solids by…
We discuss some topics concerning rational approximations in Quantum Chromodynamics, especially those related with the mathematical theory of Pad\'e Approximants. We focus on two kind of problems: the first one related with meromorphic…
Cavity polaritons, hybrid half-light half-matter excitations in quantum microcavities in the strong-coupling regime demonstrate clear signatures of quantum collective behavior, such as analogues of Bose-Einstein condensate and superfluidity…
Recently Drummond and Hillery [Phys. Rev.A 59, 691(1999)] presented a quantum theory of dispersion based on the analysis of a coupled system of the electromagnetic field and atoms in the multipolar QED formulation. The theory has led to the…
The Quantum-Electrodynamical Time-Dependent Density Functional Theory (QED-TDDFT) equations are solved by time propagating the wave function on a tensor product of a Fock-space and real-space grid. Applications for molecules in cavities…