Tensor-Structured Coupled Cluster Theory

We derive and implement a new way of solving coupled cluster equations with lower computational scaling. Our method is based on decomposition of both amplitudes and two electron integrals, using a combination of tensor hypercontraction and canonical polyadic decomposition. While the original theory scales as $O(N^6)$ with respect to the number of basis functions, we demonstrate numerically that we achieve sub-millihartree difference from the original theory with $O(N^4)$ scaling. This is accomplished by solving directly for the factors that decompose the cluster operator. The proposed scheme is quite general and can be easily extended to other many-body methods

A discrete-time approach to the steady-state and stability analysis of distributed nonlinear autonomous circuits

We present a direct method for the steady-state and stability analysis of autonomous circuits with transmission lines and generic non- linear elements. With the discretization of the equations that describe the circuit in the time domain, we obtain a nonlinear algebraic formulation where the unknowns to determine are the samples of the variables directly in the steady state, along with the oscillation period, the main unknown in autonomous circuits.An efficient scheme to buildtheJacobian matrix with exact partial derivatives with respect to the oscillation period and with re- spect to the samples of the unknowns is described. Without any modifica- tion in the analysis method, the stability of the solution can be computed a posteriori constructing an implicit map, where the last sample is viewed as a function of the previous samples. The application of this technique to the time-delayed Chua's circuit (TDCC) allows us to investigate the stability of the periodic solutions and to locate the period-doubling bifurcations.Peer ReviewedPostprint (published version

An unconditionally energy stable finite difference scheme for a stochastic Cahn-Hilliard equation

In this work, the MMC-TDGL equation, a stochastic Cahn-Hilliard equation is solved numerically by using the finite difference method in combination with a convex splitting technique of the energy functional. For the non-stochastic case, we develop an unconditionally energy stable difference scheme which is proved to be uniquely solvable. For the stochastic case, by adopting the same splitting of the energy functional, we construct a similar and uniquely solvable difference scheme with the discretized stochastic term. The resulted schemes are nonlinear and solved by Newton iteration. For the long time simulation, an adaptive time stepping strategy is developed based on both first- and second-order derivatives of the energy. Numerical experiments are carried out to verify the energy stability, the efficiency of the adaptive time stepping and the effect of the stochastic term.Comment: This paper has been accepted for publication in SCIENCE CHINA Mathematic

Numerical solution of third order three-point boundary value problems of ordinary differential equations with variable coefficients using variational-composite hybrid fixed point iterative method

This paper explores variational–composite hybrid fixed point iterative scheme for the solution of third order three-point boundary value problems. The method shows a strong convergence which makes it an efficient and reliable technique for finding approximate analytical solutions for third order three-point boundary value problems of ordinary differential equations with variable coefficients. From the numerical experiments carried out, the accuracy of the method was confirmed through the order of convergence obtained

A direct solver with O(N) complexity for variable coefficient elliptic PDEs discretized via a high-order composite spectral collocation method

A numerical method for solving elliptic PDEs with variable coefficients on two-dimensional domains is presented. The method is based on high-order composite spectral approximations and is designed for problems with smooth solutions. The resulting system of linear equations is solved using a direct (as opposed to iterative) solver that has optimal O(N) complexity for all stages of the computation when applied to problems with non-oscillatory solutions such as the Laplace and the Stokes equations. Numerical examples demonstrate that the scheme is capable of computing solutions with relative accuracy of $10^{-10}$ or better, even for challenging problems such as highly oscillatory Helmholtz problems and convection-dominated convection diffusion equations. In terms of speed, it is demonstrated that a problem with a non-oscillatory solution that was discretized using $10^{8}$ nodes was solved in 115 minutes on a personal work-station with two quad-core 3.3GHz CPUs. Since the solver is direct, and the "solution operator" fits in RAM, any solves beyond the first are very fast. In the example with $10^{8}$ unknowns, solves require only 30 seconds.Comment: arXiv admin note: text overlap with arXiv:1302.599