相关论文: Multistate ring polymer instantons and nonadiabati…

We present a state-space-based path integral method to calculate the rate of electron transfer (ET) in multi-state, multi-electron condensed-phase processes. We employ an exact path integral in discrete electronic states and continuous…

We derive the non-adiabatic ring polymer molecular dynamics (RPMD) approach in the phase space of the SU(N) Lie Group. This method, which we refer to as the spin mapping non-adiabatic RPMD (SM-NRPMD), is based on the spin-mapping formalism…

We report the first experimental demonstration of stimulated Raman adiabatic passage (STIRAP) in nuclear-spin transitions of $^{14}$N within nitrogen-vacancy (NV) color centers in diamond. It is shown that the STIRAP technique suppresses…

The random phase approximation (RPA) has received a considerable interest in the field of modeling systems where noncovalent interactions are important. Its advantages over widely used density functional theory (DFT) approximations are the…

Multi-dimensional spectroscopy represents a particularly insightful tool for investigating the interplay of nuclear and electronic dynamics, which plays an important role in a number of photophysical processes and photochemical reactions.…

We analyse the golden rule limit of the recently proposed isomorphic ring polymer (iso-RP) method. This method aims to combine an exact expression for the quantum mechanical partition function of a system with multiple electronic states…

We extend ring-polymer molecular dynamics (RPMD) to allow for the direct simulation of general, electronically non-adiabatic chemical processes. The kinetically constrained (KC) RPMD method uses the imaginary-time path-integral…

The continuous fuzzy measurement of energy of a single two-level system driven by a resonant external field is studied. An analysis is given in the framework of the phenomenological restricted path integral approach (RPI) (which reduces…

Various neural network architectures are used in many of the state-of-the-art approaches for real-time nonlinear state estimation. With the ever-increasing incorporation of these data-driven models into the estimation domain, model…

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…

The fractional shortcut to adiabaticity (f-STA) for production of quantum superposition states is proposed firstly via a three-level system with $\Lambda$-type linkage pattern and a four-level system with tripod structure.…

Multistate stimulated Raman adiabatic passage (STIRAP) is a process which allows for adiabatic population transfer between the two ends of a chainwise-connected quantum system. The process requires large temporal areas of the driving pulsed…

In this thesis I generalize Ring Polymer Molecular Dynamics (RPMD) rate theory to electronically non-adiabatic systems, followed by application to two one-dimensional curve crossing models and a multidimensional spin-boson model.

We address the calculation of microcanonical reaction rates for processes involving significant nuclear quantum effects using ring-polymer molecular dynamics (RPMD), both with and without electronically non-adiabatic transitions. After…

Modern fourth-generation storage ring light sources predominantly utilize digital I/Q-based proportional-integral (PI) feedback for their radio-frequency (RF) systems. This paper introduces a dedicated PI feedback model implemented in the…

The use of ring polymer molecular dynamics (RPMD) for the direct simulation of electron transfer (ET) reaction dynamics is analyzed in the context of Marcus theory, semiclassical instanton theory, and exact quantum dynamics approaches. For…

We introduce an approach for calculating perturbative corrections to the ring-polymer instanton approximation to tunneling splittings (RPI+PC), by computing higher-order terms in the asymptotic expansion in $\hbar$. The resulting method…

We propose a trajectory-based method for simulating nonadiabatic dynamics in molecular systems with two coupled electronic states. Employing a quantum-mechanically exact mapping of the two-level problem to a spin-1/2 coherent state, we…

The matrix equations of the relativistic random-phase approximation (RRPA) are derived for an effective Lagrangian characterized by density-dependent meson-nucleon vertex functions. The explicit density dependence of the meson-nucleon…

We present a cross-cavity system in which steady-state superradiance is achieved using solely collective dissipative dynamics. Two cavities symmetrically couple an ensemble of four-level atoms by driving transitions between two electronic…