Related papers: Imaginary time propagation code for large-scale tw…
The Schr\"odinger eigenvalue problem is solved with the imaginary time propagation technique. The separability of the Hamiltonian makes the problem suitable for the application of splitting methods. High order fractional time steps of order…
The eigenvalue-function pair of the 3D Schr\"odinger equation can be efficiently computed by use of high order, imaginary time propagators. Due to the diffusion character of the kinetic energy operator in imaginary time, algorithms…
Evolution in imaginary time is a prominent technique for finding the ground state of quantum many-body systems, and the heart of a number of numerical methods that have been used with great success in quantum chemistry, condensed matter and…
In order to solve the time-independent three-dimensional Schr\"odinger equation, one can transform the time-dependent Schr\"odinger equation to imaginary time and use a parallelized iterative method to obtain the full three-dimensional…
This paper describes a new numerical method for solving eigenstate problems, such as time-independent Schrodinger equation. The idea is to use the first order perturbation theory to rewrite the eigenvalue problem as a system of first order…
A propagator for the one dimensional time-dependent Schr\"odinger equation with an asymmetric rectangular potential is obtained using the multiple-scattering theory approach. It allows for the consideration of the reflection and…
We present a program to simulate the dynamics of a wave packet interacting with a time-dependent potential. The time-dependent Schr\"odinger equation is solved on a one-, two-, or three-dimensional spatial grid using the split operator…
A detailed exposition of highly efficient and accurate method for the propagation of the time-dependent Schr\"odinger equation is presented. The method is readily generalized to solve an arbitrary set of ODE's. The propagation is based on a…
We explore the possibility of adding complex absorbing potential at the boundaries when solving the one-dimensional real-time Schr\"odinger evolution on a grid using a quantum computer with a fully quantum algorithm described on a $n$ qubit…
This report discusses two new ideas for using perturbation methods to solve the time-independent Schr\"odinger equation. The first concept begins with rewriting the perturbation equations in a form that is closely related to matrix…
Imaginary time evolution is a powerful tool applied in quantum physics, while existing classical algorithms for simulating imaginary time evolution suffer high computational complexity as the quantum systems become larger and more complex.…
We extend the Pauli Propagation framework to simulate imaginary-time evolution. By deriving explicit update rules for the propagation of Pauli operators under imaginary-time evolution generated by Pauli strings, we introduce an…
We extend our finite difference time domain method for numerical solution of the Schrodinger equation to cases where eigenfunctions are complex-valued. Illustrative numerical results for an electron in two dimensions, subject to a confining…
We extend the publicly available quantumfdtd code. It was originally intended for solving the time-independent three-dimensional Schr\"odinger equation via the finite-difference time-domain (FDTD) method and for extracting the ground,…
We develop simple numerical algorithms for both stationary and non-stationary solutions of the time-dependent Gross-Pitaevskii (GP) equation describing the properties of Bose-Einstein condensates at ultra low temperatures. In particular, we…
The Imaginary Time Step (ITS) method is applied to solve the Dirac equation with the nonlocal potential in coordinate space by the ITS evolution for the corresponding Schr\"odinger-like equation for the upper component. It is demonstrated…
We introduce a novel eigenvalue algorithm for near-diagonal matrices inspired by Rayleigh-Schr\"odinger perturbation theory and termed Iterative Perturbative Theory (IPT). Contrary to standard eigenvalue algorithms, which are either…
We prove that the Schr\"odinger equation for N number of particles in the time dependent electro-magnetic field generates a unique unitary propagator on the state space under the condition that the field is smooth and moderately but almost…
Coupled non-linear Schr\"{o}dinger equations are crucial in describing dynamics of many particle systems. We present a quantum imaginary time evolution (ITE) algorithm as a solution to such equations in the case of nuclear Hartree-Fock…
We present new approaches for solving constrained multicomponent nonlinear Schr\"odinger equations in arbitrary dimensions. The idea is to introduce an artificial time and solve an extended damped second order dynamic system whose…