Related papers: Projection method for rapid ab initio calculations…
In this paper we study the convergence of an iterative algorithm for finding zeros with constraints for not necessarily monotone set-valued operators in a reflexive Banach space. This algorithm, which we call the proximal-projection method…
In this study, we address the challenge of solving elliptic equations with quasiperiodic coefficients. To achieve accurate and efficient computation, we introduce the projection method, which enables the embedding of quasiperiodic systems…
The structure and dynamics of a molecular system is governed by its potential energy surface (PES), representing the total energy as a function of the nuclear coordinates. Obtaining accurate potential energy surfaces is limited by the…
In optimal prediction methods one estimates the future behavior of underresolved systems by solving reduced systems of equations for expectations conditioned by partial data; renormalization group methods reduce the number of variables in…
Feshbach's projector technique is employed to quantize the electromagnetic field in optical resonators with an arbitray number of escape channels. We find spectrally overlapping resonator modes coupled due to the damping and noise inflicted…
In this work, we propose an efficient two-metric adaptive projection method for solving the $\ell_1$-norm minimization problem. Our approach is inspired by the two-metric projection method, a simple yet elegant algorithm proposed by…
It has proved difficult to extend the density matrix renormalization group technique to large two-dimensional systems. In this Communication I present a novel approach where the calculation is done directly in two dimensions. This makes it…
Large scale atomistic simulations with suitable interatomic potentials are widely employed by scientists or engineers of different areas. Quick generation of high-quality interatomic potentials is of urgent need under present circumstances,…
The functional renormalization group method is used to take into account the vacuum polarization around localized bound states generated by external potential. The application to Atomic Physics leads to improved Hartree-Fock and Kohn-Sham…
In this paper, we carry out a new technique named projection ED and indicate that it is applicable to the frustrated models, e.g., XXZ spin-1/2 Heisenberg and spinless fermion t-V models, in the strong coupling limit with highly degenerate…
A new non-perturbative framework for many-body correlated systems is formulated by extending the operator projection method (OPM). This method offers a systematic expansion which enables us to project into the low-energy structure after…
A recent tight-binding scheme provides a method for extending the results of first principles calculations to regimes involving $10^2 - 10^3$ atoms in a unit cell. The method uses an analytic set of two-center, non-orthogonal tight-binding…
We present a method for improving the speed of geometry relaxation by using a harmonic approximation for the interaction potential between nearest neighbor atoms to construct an initial Hessian estimate. The model is quite robust, and…
The projection of the eigenfunctions obtained in standard plane-wave first-principle electronic-structure calculations into atomic-orbital basis sets is proposed as a formal and practical link between the methods based on plane waves and…
The density matrix renormalization group method is generalized to one dimensional random systems. Using this method, the energy gap distribution of the spin-1/2 random antiferromagnetic Heisenberg chain is calculated. The results are…
The lowest order constrained variational method [Phys. Rev. Lett. 88, 210403 (2002)] has been generalized for a dilute (in the sense that the range of interatomic potential is small compared with inter-particle spacing) uniform gas of…
We present the prospects for photoassociation, optical control of interspecies scattering lengths and finally, the production of ultracold absolute ground state molecules in the Rb+Hg system. We use the "gold standard" ab initio methods for…
Shape-constrained inference has wide applicability in bioassay, medicine, economics, risk assessment, and many other fields. Although there has been a large amount of work on monotone-constrained univariate curve estimation, multivariate…
Projections onto sets are used in a wide variety of methods in optimization theory but not every method that uses projections really belongs to the class of projection methods as we mean it here. Here projection methods are iterative…
A type of iterative orthogonally accumulated projection methods for solving linear system of equations are proposed in this paper. This type of methods are applications of accumulated projection(AP) technique proposed recently by authors.…