Related papers: Extended Recursion in Operator Space (EROS), a new…
We present a new second order complete active space self-consistent field implementation to converge wavefunctions for both large active spaces and large atomic orbital (AO) bases. Our algorithm decouples the active space wavefunction…
We present a proximal quasi-Newton method in which the approximation of the Hessian has the special format of "identity minus rank one" (IMRO) in each iteration. The proposed structure enables us to effectively recover the proximal point.…
In this work we explore the fidelity of numerical approximations to the analytic spectra of hyperbolic partial differential equation systems with variable coefficients. We are particularly interested in the ability of discrete methods to…
Recent experimental realization of strongly imbalanced mixtures of ultracold atoms opens new possibilities for studying impurity dynamics in a controlled setting. We discuss how the techniques of atomic physics can be used to explore new…
An energy preserving reduced order model is developed for the nontraditional shallow water equation (NTSWE) with full Coriolis force. The NTSWE in the noncanonical Hamiltonian/Poisson form is discretized in space by finite differences. The…
We describe some exact high-energy properties of a single Anderson impurity connected to two noninteracting leads in a nonequilibrium steady state. In the limit of high bias voltages, and also in the high-temperature limit at thermal…
Ordinal Regression (OR) aims to model the ordering information between different data categories, which is a crucial topic in multi-label learning. An important class of approaches to OR models the problem as a linear combination of basis…
Synthetic aperture sonar (SAS) requires precise positional and environmental information to produce well-focused output during the image reconstruction step. However, errors in these measurements are commonly present resulting in defocused…
We present an efficient separation of variables algorithm for the evaluation of imaginary time Feynman diagrams appearing in the bold pseudo-particle strong coupling expansion of the Anderson impurity model. The algorithm uses a fitting…
An energy preserving reduced order model is developed for two dimensional nonlinear Schr\"odinger equation (NLSE) with plane wave solutions and with an external potential. The NLSE is discretized in space by the symmetric interior penalty…
We consider a damped oscillator mode that is resonantly driven and is coupled to an arbitrary target system via the position quadrature operator. For such a composite open quantum system, we develop a numerical method to compute the reduced…
A large number of theoretically predicted waveforms are required by matched-filtering searches for the gravitational-wave signals produced by compact binary coalescence. In order to substantially alleviate the computational burden in…
Here we have developed a FLEX+DMFT formalism, where the symmetry properties of the system are incorporated by constructing a SO(4) generalization of the conventional fluctuation-exchange approximation (FLEX) coupled self-consistently to the…
We present an impurity solver based on adaptively truncated Hilbert spaces. The solver is particularly suitable for dynamical mean-field theory in circumstances where quantum Monte Carlo approaches are ineffective. It exploits the sparsity…
Matrix rank minimization (RM) problems recently gained extensive attention due to numerous applications in machine learning, system identification and graphical models. In RM problem, one aims to find the matrix with the lowest rank that…
The accurate determination of the electronic structure of strongly correlated materials using first principle methods is of paramount importance in condensed matter physics, computational chemistry, and material science. However, due to the…
One-particle Green's functions obtained from the self-consistent solution of the Dyson equation can be employed in evaluation of spectroscopic and thermodynamic properties for both molecules and solids. However, typical acceleration…
In this paper, we use the optimization formulation of nonlinear Kalman filtering and smoothing problems to develop second-order variants of iterated Kalman smoother (IKS) methods. We show that Newton's method corresponds to a recursion over…
Traditional linear subspace reduced order models (LS-ROMs) are able to accelerate physical simulations, in which the intrinsic solution space falls into a subspace with a small dimension, i.e., the solution space has a small Kolmogorov…
We investigate a Kondo lattice model with correlated conduction electrons. Within dynamical mean-field theory the model maps onto an impurity model where the host has to be determined self-consistently. This impurity model can be derived…