相关论文: Effective potential analytic continuation approach…
We apply the effective potential analytic continuation (EPAC) method to one-dimensional asymmetric potential systems to obtain the real time quantum correlation functions at various temperatures. Comparing the EPAC results with the exact…
We propose a new quantum dynamics method called the effective potential analytic continuation (EPAC) to calculate the real time quantum correlation functions at finite temperature. The method is based on the effective action formalism which…
The quantum harmonic oscillator is the fundamental building block to compute thermal properties of virtually any dielectric crystal at low temperatures in terms of phonons, extended further to cases with anharmonic couplings, or even…
Correlation effects of an electron gas in an external potential are derived using an Effective Action functional method. Corrections beyond the random phase approximation (RPA) are naturally incorporated by this method. The Effective Action…
We present a method that permits the calculation of the dynamical correlation functions for quantum systems. These are obtained by evaluating the generating functionals of the static moments of the relaxation functions in a self-consistent…
Recent evidence has revealed cross-frequency coupling and, particularly, phase-amplitude coupling (PAC) as an important strategy for the brain to accomplish a variety of high-level cognitive and sensory functions. However, decoding PAC is…
We extend and benchmark the recently-developed Effective-Hamiltonian (EFFH) method [PRX Quantum $\bf{4}$, 020307 (2023)] as an approximation to the equilibrium state ("mean-force Gibbs state") of a quantum system at strong coupling to a…
Neutral atom quantum computers are one of the most promising quantum architectures, offering advantages in scalability, dynamic reconfigurability, and potential for large-scale implementations. These characteristics create unique…
We outline ideas on desired properties for a new generation of effective core potentials (ECPs) that will allow valence-only calculations to reach the full potential offered by recent advances in many-body wave function methods. The key…
We present an effective potential that allows quantum thermal expectation values of a position-dependent observable to be estimated as a classical ensemble average of the corresponding function. We follow the approach of Feynman and Hibbs,…
The decay rate for a particle in a metastable cubic potential is investigated in the quantum regime by the Euclidean path integral method in semiclassical approximation. The imaginary time formalism allows one to monitor the system as a…
The problem of calculating the electron-positively charged particle correlation energy poses a challenge in the field of quantum chemistry beyond the adiabatic approximation. In this study, a toy model called Exotic Harmonium is developed…
We report on Differential Evolution for Analytic Continuation (DEAC): a parameter-free evolutionary algorithm to generate the dynamic structure factor from imaginary time correlation functions. Our approach to this long-standing problem in…
In this work, we present a compact analytical approximation for the quantum partition function of systems composed of quantum oscillators. The proposed formula is general and applicable to an arbitrary number of oscillators described by a…
The theoretical prediction of the rates of nonradiative processes in molecules is fundamental to assess their emissive properties. In this context, global harmonic models have been widely used to simulate vibronic spectra as well as…
One of the most important quantities characterizing the microscopic properties of quantum systems are dynamical correlation functions. These correlations are obtained by time-evolving a perturbation of an eigenstate of the system, typically…
We study the dynamics of correlations in a paradigmatic setup to observe $\mathcal{PT}$-symmetric physics: a pair of coupled oscillators, one subject to a gain one to a loss. Starting from a coherent state, quantum correlations (QCs) are…
We have developed a thorough and accurate method of determining anharmonic free energies, the temperature dependent effective potential technique (TDEP). It is based on \emph{ab initio} molecular dynamics followed by a mapping onto a model…
Bayesian parametric analytic continuation (BPAC) is proposed for the analytic continuation of noisy imaginary-time Green's function data as, e.g., obtained by continuous-time quantum Monte Carlo simulations (CTQMC). Within BPAC, the…
In wavefunction-based $\textit{ab-initio}$ quantum mechanical calculations, achieving absolute convergence with respect to the one-electron basis set is a long-standing challenge. In this work, using the random phase approximation (RPA)…