Related papers: Variational projector-augmented wave method: a ful…
Variational methods are highly valuable computational tools for solving high-dimensional quantum systems. In this paper, we explore the effectiveness of three variational methods: the density matrix renormalization group (DMRG), Boltzmann…
Covariant density functional theory, which has so far been applied only within the framework of static and time dependent mean field theory is extended to include Particle-Vibration Coupling (PVC) in a consistent way. Starting from a…
We analyze the mathematical model of multiwave tomography with a variable speed with integrating measurements on planes tangent to a sphere surrounding the source. We prove sharp uniqueness and stability estimates with full and partial data…
We have developed the quasiparticle self-consistent GW (QSGW) method based on a recently developed mixed basis all-electron full-potential method (the PMT method), which uses the augmented plane waves (APWs) and the highly localized…
The Petviashvili's iteration method has been known as a rapidly converging numerical algorithm for obtaining fundamental solitary wave solutions of stationary scalar nonlinear wave equations with power-law nonlinearity: \ $-Mu+u^p=0$, where…
In this paper we develop a plane wave type method for discretization of homogeneous Helmholtz equations with variable wave numbers. In the proposed method, local basis functions (on each element) are constructed by the geometric optics…
Based on our recently proposed plane wave framework, we theoretically study the localized-extended transition in the one dimensional incommensurate systems with cosine type of potentials, which are in close connection to many recent…
We investigate the one-dimensional Coulomb potential with application to a class of quasirelativistic systems, so-called Dirac-Weyl materials, described by matrix Hamiltonians. We obtain the exact solution of the shifted and truncated…
In this paper, we consider weakly regular Sturm-Liouville eigenproblems with unbounded potential at both endpoints of the domain. We propose a Galerkin spectral matrix method for its solution and we study the error in the eigenvalue…
A variational method for computing conformational properties of molecules with Lennard-Jones potentials for the monomer-monomer interactions is presented. The approach is tailored to deal with angular degrees of freedom, {\it rotors}, and…
In electronic structure theory, variational methods offer a valuable paradigm for approximating electronic ground states. However, for historical reasons, this principle is mostly restricted to model chemistries in pre-defined fixed basis…
We propose a variation on wavefield reconstruction inversion for seismic inversion, which takes advantage of randomized linear algebra as a way to overcome the typical limitations of conventional inversion techniques. Consequently, we can…
The extended KdV equation is a nonlinear dispersive wave model that is asymptotically or variationally derived from the full dispersive Euler shallow water waves equations when gravity-capillary and higher order nonlinear effects are taken…
We present the foundations of a new solution technique for the characteristic initial value problem (IVP) of colliding plane gravitational waves. It has extensive similarities to the approach of Alekseev and Griffiths in 2001, but we use an…
We investigate the scattering of scalar plane waves in two dimensions by a heterogeneous layer that is periodic in the direction parallel to its boundary. On describing the layer as a union of periodic laminae, we develop a solution of the…
The main goal of electronic structure methods is to solve the Schroedinger equation for the electrons in a molecule or solid, to evaluate the resulting total energies, forces, response functions and other quantities of interest. In this…
We present a new full-potential method to solve the one-body problem, for example, in the local density approximation. The method uses the augmented plane waves (APWs) and the generalized muffin-tin orbitals (MTOs) together as basis sets to…
Besides perturbation theory, which requires, of course, the knowledge of the exact unperturbed solution, variational techniques represent the main tool for any investigation of the eigenvalue problem of some semibounded operator H in…
Ab initio GW calculations are a standard method for computing the spectroscopic properties of many materials. The most computationally expensive part in conventional implementations of the method is the generation and summation over the…
In this paper, an improvement has been made on the variation after projection (VAP) method, which is crucial in the calculations of high-spin states. It turns out that, the form of the trial VAP wave function with spin $J$ can be simplified…