相关论文: An efficient tool to calculate two-dimensional opt…
Long-lived electronic coherences in various photosynthetic complexes at cryogenic and room temperature have generated vigorous efforts both in theory and experiment to understand their origins and explore their potential role to biological…
We provide simple and accurate analytic approximations for the low frequency double Compton emission coefficient that are applicable in a broad range of physical situations up to mildly relativistic temperatures. These approximations may be…
We have previously demonstrated that in the context of two-dimensional (2D) coherent electronic spectroscopy measured by phase modulation and phase-sensitive detection, an \emph{incoherent} nonlinear response, due to pairs of…
With the path integral approach, the thermal average in a multi-electronic-state quantum systems can be approximated by the ring polymer representation on an extended configuration space, where the additional degrees of freedom are…
Photoemission orbital tomography provides direct access from laboratory measurements to the real-space molecular orbitals of well-ordered organic semiconductor layers. Specifically, the application of phase retrieval algorithms to…
This study employed an artificial intelligence-enhanced molecular simulation framework to enable efficient Path Integral Molecular Dynamics (PIMD) simulations. Owing to its modular architecture and high-throughput capabilities, the…
We present a polarizable embedding quantum mechanics/molecular mechanics (QM/MM) framework for ground- and excited-state Complete Active Space Self-Consistent Field (CASSCF) calculations on molecules within complex environments, such as…
We study the reliability of the constrained random phase approximation (cRPA) method for the calculation of low-energy effective Hamiltonians by considering multi-orbital lattice models with one strongly correlated "target" band and two…
The fast dynamics of molecular polaritonics is scrutinized theoretically through the implementation of two-dimensional spectroscopy protocols. We derive conceptually simple and computationally efficient formulas to calculate two-dimensional…
We study the bichromatic driving of a two-level system which displays long-lived coherent population oscillations (CPO). We show that under certain conditions, multiphoton parametric interaction leads to the appearance of CPO resonances at…
Time-dependent current-density-functional theory (TDCDFT) provides an in principle exact scheme to calculate efficiently response functions for a very broad range of applications. However, the lack of approximations valid for a range of…
In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…
We investigate the effect of strong emission line galaxies on the performance of empirical photometric redshift estimation methods. In order to artificially control the contribution of photometric error and emission lines to total flux, we…
We present an efficient and numerically stable algorithm for calculation of two-particle response functions within the dynamical mean-field theory. The technique is based on inferring the high frequency asymptotic behavior of the…
We discuss a possibility of detecting a coherent photon pair emission and related radiative neutrino pair emission from excited atoms. It is shown that atoms of lambda- and ladder-type three level system placed in a pencil-like cylinder…
An alternative method is introduced to solve a simple two-dimensional models describing vibrational excitation and dissociation processes during the electron-molecule collisions. The model works with one electronic and one nuclear degree of…
Molecular simulations are essential tools in computational chemistry, enabling the prediction and understanding of molecular interactions and thermodynamic properties of biomolecules. However, traditional force fields face significant…
Molecular optomechanics stems from the description of Raman scattering in the presence of an optical resonator using a cavity optomechanics formalism. We extend the molecular optomechanics formalism to the case of hybrid…
A method of dynamic continuous-wave spectroscopy of coherent population trapping (CPT) resonances using phase modulation of the jump type is developed. The time evolution of the spectroscopic signal is investigated. A method for the…
The design of a complex phase mask (CPM) for inscribing aperiodic filters in fibers is presented. The complex structure of the mask surface relief consists of discrete aperiodic phase-steps at periodic intervals. We show that the…