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Generalized master equations valid for the third order response of an optically driven multi-level electronic system are derived within Zwanzig projection formalism. Each of three time intervals of the response function is found to require…
We present a framework for simulating relaxation dynamics through a conical intersection of an open quantum system that combines methods to approximate the motion of degrees of freedom with disparate time and energy scales. In the vicinity…
A new approach to nonperturbative calculations in quantum electrodynamics is proposed. The approach is based on a regular iteration scheme for solution of Schwinger-Dyson equations for generating functional of Green functions. The approach…
The framework to approach quasi-classical dynamics in the electronic ground state is well established and is based on the Kubo-transformed time correlation function (TCF), being the most classical-like quantum TCF. Here we discuss whether…
To investigate the possibility of measuring the intermolecular and intramolecular anharmonic coupling of balk water, we calculate third-order two-dimensional (2D) infrared (IR) spectra and fifth-order 2D IR-IR-Raman-Raman spectra expressed…
Multidimensional optical signals are commonly recorded by varying the delays between time ordered pulses. These control the evolution of the density matrix and are described by ladder diagrams. We propose a new non-time-ordered protocol…
We use extreme-ultraviolet interferometry to measure the phase of high-order harmonic generation from transiently aligned CO2 molecules. We unambiguously observe a reversal in phase of the high order harmonic emission for higher harmonic…
The two-point summary statistics is one of the most commonly used tools in the study of cosmological structure. Starting from the theoretical power spectrum defined in the 3D volume and obtained via the process of ensemble averaging, we…
Molecular design requires systematic and broadly applicable methods to extract structure-property relationships. The focus of this study is on learning thermodynamic properties from molecular-liquid simulations. The methodology relies on an…
Understanding of the precise mechanisms of high-temperature superconductivity is elusive. In particular, in order to solve the puzzle of the pairing mechanism, it is important to understand the detailed nature of the excitations at energies…
A theoretical analysis is carried out for the recently developed three-pulse photon echo spectroscopy employing dual frequency combs (DFC) as the light sources. In this method, the molecular sample interacts with three pulse trains derived…
The intrinsically hierarchical and blended structure of interstellar molecular clouds, plus the always increasing resolution of astronomical instruments, demand advanced and automated pattern recognition techniques for identifying and…
Thermal quantum time-correlation functions are of fundamental importance in quantum dynamics, allowing experimentally-measurable properties such as reaction rates, diffusion constants and vibrational spectra to be computed from first…
Spectral reconstruction is a well studied numerically ill-posed problem which arises due to the relation of the Euclidean correlator to the spectral function via an inhomogeneous Fredholm equation of the first kind. Several different…
Molecular absorption and photo-electron spectra can be efficiently predicted with real-time time-dependent density-functional theory (TDDFT). We show here how these techniques can be easily extended to study time-resolved pump-probe…
X-ray Bragg coherent diffraction imaging has been demonstrated as a powerful three-dimensional (3D) microscopy approach for the investigation of sub-micrometer-scale crystalline particles. It is based on the measurement of a series of…
There is a critical need for efficient and reliable active flow control strategies to reduce drag and noise in aerospace and marine engineering applications. While traditional full-order models based on the Navier-Stokes equations are not…
Thanks to the recent availability of large surveys, there has been renewed interest in third-order correlation statistics. Measures of third-order clustering are sensitive to the structure of filaments and voids in the universe and are…
A crucial limitation of current high-resolution 3D photoacoustic tomography (PAT) devices that employ sequential scanning is their long acquisition time. In previous work, we demonstrated how to use compressed sensing techniques to improve…
Time-resolved photoemission spectroscopy is the key technique to probe the real-time non-equilibrium dynamics of electronic states. Theoretical predictions of the time dependent spectral function for realistic systems is however, a…