Related papers: Coherent State Mapping Ring-Polymer Molecular Dyna…
Preserving quantum coherence with the increase of a system's size and complexity is a major challenge. Molecules, with their diverse sizes and complexities and many degrees of freedom, are an excellent platform for studying the transition…
We present a detailed field theoretic description of those collective degrees of freedom (CDF) which are relevant to study macroscopic quantum dynamics of a quasi-one-dimensional ferromagnetic domain wall. We apply spin coherent state path…
We introduce a stable and efficient complex Langevin (CL) scheme to enable the first numerical simulations of the coherent-states (CS) formulation of polymer field theory. In contrast with Edwards' well known auxiliary-field (AF) framework,…
Developing new methods for the accurate and efficient calculations of real-time quantum correlation functions is deemed one of the most challenging problems of modern condensed matter theory. Many popular methods, such as centroid molecular…
We develop a density matrix formalism to describe coupled electron-nuclear dynamics. To this end we introduce an effective Hamiltonian formalism that describes electronic transitions and small (quantum) nuclear fluctuations along a…
Coherent signal containing squeezed noise in a mixed state of radiation field is considered here as a non-Gaussian mixture of a coherent state density operator and a squeezed state density operator, as opposed to the usual well known…
In Part I [J. Chem. Phys. 138, 084108 (2013)] we derived a quantum transition-state theory by taking the t->0+ (short-time) limit of a new form of quantum flux-side time-correlation function containing a ring-polymer dividing surface. This…
The Rabi model considers a two-level system (or spin-1/2) coupled to a quantized harmonic oscillator and describes the simplest interaction between matter and light. The recent experimental progress in solid-state circuit quantum…
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…
We propose a new method for simulating electron dynamics in open quantum systems out of equilibrium, using a finite atomistic model. The proposed method is motivated by the intuitive and practical nature of the driven Liouville von-Neumann…
Electron transport through a strongly correlated quantum dot (QD) embedded in an Aharonov-Bohm (AB) ring is investigated with the aid of the finite-U slave-boson mean-field (SBMF) approach extended to nonequilibrium regime. A nonequilibrium…
The equation of motion coupled cluster singles and doubles model (EOM-CCSD) is an accurate, black-box correlated electronic structure approach to investigate electronically excited states and electron attachment or detachment processes. It…
We examine topological phases and symmetry-protected electronic edge states in the context of a Rydberg composite: a Rydberg atom interfaced with a structured arrangement of ground-state atoms. The electronic Hamiltonian of such a composite…
Recent work shows that strong stability and dimensionality freedom are essential for robust numerical integration of thermostatted ring-polymer molecular dynamics (T-RPMD) and path-integral molecular dynamics (PIMD), without which standard…
The rate of coherence loss is lower for a qubit under the Rabi drive than a freely evolving qubit $T_{2}^{\rm{Rabi}}>T_{2}^*$. Building on this principle, concatenated continuous driving (CCD) keeps the qubit under continuous drive to…
The Jaynes-Cummings (JC) model is a milestone in the theory of coherent interaction between a two-level system and a single bosonic field mode. This tutorial aims to give a complete description of the model, analyzing the Hamiltonian of the…
The accurate and efficient calculation of the rate coefficients of chemical reactions is a key issue in the research of chemical dynamics. In this work, by applying the dimension-free ultra-stable Cayley propagator, the thermal rate…
We propose a systematic approach to the basis set extension for nonadiabatic dynamics of entangled combination of nuclear coherent states (CSs) evolving according to the time-dependent variational principle (TDVP). TDVP provides a rigorous…
This paper is devoted to the numerical symplectic approximation of the charged-particle dynamics (CPD) with arbitrary electromagnetic fields. By utilizing continuous-stage methods and exponential integrators, a general class of symplectic…
We have recently developed the \textit{constraint} coordinate-momentum \textit{phase space} (CPS) formulation for finite-state quantum systems. It has been implemented for the electronic subsystem in nonadiabatic transition dynamics to…