Related papers: Calculating the linear response functions of non-i…
We present a method for the evaluation of time-dependent linear response functions for systems of active Ornstein-Uhlenbeck particles from unperturbed simulations. The method is inspired by the Malliavin weights sampling method proposed by…
A nonlocal quantum model is presented for calculating the atomic dielectric response to a strong laser electric field. By replacing the Coulomb potential with a nonlocal potential in the Schrodinger equation, a 3+1D calculation of the…
In this thesis we present a new formalism to study linear and non-linear response in extended systems. Our approach is based on real-time solution of an effective Schr\"odinger equation. The coupling between electrons and external field is…
An energy functional for orbital based $O(N)$ calculations is proposed, which depends on a number of non orthogonal, localized orbitals larger than the number of occupied states in the system, and on a parameter, the electronic chemical…
The $O(N)$ stochastic propagation method, which relies on the numerical solution of the time-dependent Schr\"odinger equation using random initial states, is widely used in large-scale first-principles calculations. In this work, we…
The Qprop package is presented. Qprop has been developed to study laser-atom interaction in the nonperturbative regime where nonlinear phenomena such as above-threshold ionization, high order harmonic generation, and dynamic stabilization…
We construct quantum algorithms to compute the solution and/or physical observables of nonlinear ordinary differential equations (ODEs) and nonlinear Hamilton-Jacobi equations (HJE) via linear representations or exact mappings between…
We develop a quantum algorithm for linear algebraic equations $ A\bb{x} = \bb{b} $ from the perspective of Schr\"odingerization-form problems, which are characterized by a system of linear convection equations in one higher dimension. When…
An algorithm named EigenWave is described to compute eigenvalues and eigenvectors of elliptic boundary value problems. The algorithm, based on the recently developed WaveHoltz scheme, solves a related time-dependent wave equation as part of…
Linear scaling methods provide total energy, but no energy levels and canonical wavefuctions. From the density matrix computed through the density matrix purification methods, we propose an order-N (O(N)) method for calculating both the…
We study the non-equilibrium properties of non interacting active Ornstein-Uhlenbeck particles (AOUP) subject to an external nonuniform field using a Fokker-Planck approach with a focus on the linear response and time-correlation functions.…
Following Ref. [Oriols X 2007 Phys. Rev. Lett., 98 066803], an algorithm to deal with the exchange interaction in non-separable quantum systems is presented. The algorithm can be applied to fermions or bosons and, by construction, it…
The well known interpretational difficulties with nonlinear Schr\"odinger and von Neumann equations can be reduced to the problem of computing multiple-time correlation functions in the absence of Heisenberg picture. Having no Heisenberg…
Utilization of a quantum system whose time-development is described by the nonlinear Schrodinger equation in the transformation of qubits would make it possible to construct quantum algorithms which would be useful in a large class of…
We present quantum algorithms for simulating the dynamics of a broad class of classical oscillator systems containing $2^n$ coupled oscillators (Eg: $2^n$ masses coupled by springs), including those with time-dependent forces, time-varying…
A powerful method for calculating the eigenvalues of a Hamiltonian operator consists of converting the energy eigenvalue equation into a matrix equation by means of an appropriate basis set of functions. The convergence of the method can be…
We present substantially generalized and improved quantum algorithms over prior work for inhomogeneous linear and nonlinear ordinary differential equations (ODE). Specifically, we show how the norm of the matrix exponential characterizes…
We extend the recently proposed order-N algorithms (cond-mat/9703224) for calculating linear- and nonlinear-response functions in time domain to the systems described by nonorthonormal basis sets.
We present an iterative algorithm for solving a class of \\nonlinear Laplacian system of equations in $\tilde{O}(k^2m \log(kn/\epsilon))$ iterations, where $k$ is a measure of nonlinearity, $n$ is the number of variables, $m$ is the number…
Linear response theory and Green's functions provide a universal framework for understanding dynamical correlations in strongly correlated open quantum systems. While the theoretical foundation for non-Hermitian linear response has been…