相关论文: An efficient tool to calculate two-dimensional opt…

We investigate the phase behaviour of 2D mixtures of bi-functional and three-functional patchy particles and 3D mixtures of bi-functional and tetra-functional patchy particles by means of Monte Carlo simulations and Wertheim theory. We…

We present a numerical path-integral iteration scheme for the low dimensional reduced density matrix of a time-dependent quantum dissipative system. Our approach simultaneously accounts for the combined action of a microscopically modelled…

Basing on recent reliable measurements of the life- and coherence time of Cu$_2$O Rydberg excitons, we present an analytical method which enables to describe the experimental results. The real-density matrix approach (RDMA) is applied to…

We develop an all-electron path integral Monte Carlo (PIMC) method with free-particle nodes for warm dense matter and apply it to water and carbon plasmas. We thereby extend PIMC studies beyond hydrogen and helium to elements with core…

Calculation of the coherent nonlinear response of a system is essential to correctly interpret results from advanced techniques such as two-dimensional coherent spectroscopy (2DCS). Usually, even for the simplest systems, such calculations…

Measurements of fluctuations in the Cosmic Microwave Background Radiation (CMBR) is one of the most promising methods for measuring the fundamental cosmological parameters. However, in order to infer parameters from precision measurements…

Reduced density-matrix functional theory (RDMFT) provides a variational route to electronic correlations beyond conventional density-functional approximations, but explicit evaluations of density-matrix functionals still scale exponentially…

The ability to determine the joint spectral properties of photon pairs produced by the processes of spontaneous parametric downconversion (SPDC) and spontaneous four wave mixing (SFWM) is crucial for guaranteeing the usability of heralded…

Kohn-Sham density functional theory (DFT) is the standard method for first-principles calculations in computational chemistry and materials science. More accurate theories such as the random-phase approximation (RPA) are limited in…

Implementation of Effective Core Potentials (ECPs) into the molecular scattering suite UKRmol+ is presented together with a set of calculations for a range of targets relevant for plasma modeling. Continuum description in scattering and…

Quantum effects in photosynthetic energy transport in nature, especially for the typical Fenna-Matthews-Olson (FMO) complexes, are extensively studied in quantum biology. Such energy transport processes can be investigated as open quantum…

We theoretically propose a multidimensional high-harmonic echo spectroscopy technique which utilizes strong optical fields to resolve coherent electron dynamics spanning an energy range of multiple electron Volts. Using our recently…

This work presents a highly optimized computational framework for the Discrete Dipole Approximation, a numerical method for calculating the optical properties associated with a target of arbitrary geometry that is widely used in…

We demonstrate an efficient cross-phase modulation (XPM) based on a closed-loop double-{\Lambda} system. The property of the double-{\Lambda} medium can be controlled by changing the phases of the applied optical fields. This…

The development and implementation of increasingly accurate methods for electronic structure calculations mean that, for many atomistic simulation problems, treating light nuclei as classical particles is now one of the most serious…

Integrated photonics computing has emerged as a promising approach to overcome the limitations of electronic processors in the post-Moore era, capitalizing on the superiority of photonic systems. However, present integrated photonics…

The complex Kohn variational method is extended to compute light-driven electronic transitions between continuum wavefunctions in atomic and molecular systems. This development enables the study of multiphoton processes in the perturbative…

To overcome fundamental limitations of the \pi optical pulse-induced population inversion and optical decay-caused short storage time in conventional photon echoes, a coherent control of collective atoms is studied for inversion-free,…

First-principles dynamical CPA (Coherent-Potential Approximation) for electron correlations has been developed further by taking into account higher-order dynamical corrections with use of the asymptotic approximation. The theory is applied…

Despite the high accuracy of photometric redshifts (zphot) derived using Machine Learning (ML) methods, the quantification of errors through reliable and accurate Probability Density Functions (PDFs) is still an open problem. First, because…