相关论文: Boundary conditions for augmented plane wave metho…
Hamilton's principle is extended to have compatible initial conditions to the strong form. To use a number of computational and theoretical benefits for dynamical systems, the mixed variational formulation is preferred in the systems other…
In order to increase the accuracy of the linearized augmented plane wave method (LAPW) we present a new approach where the plane wave basis function is augmented by two different atomic radial components constructed at two different…
The Rayleigh-Ritz procedure for determining bound-states of the Schr\"{o}dinger equation relies on spectral representation of the solution as a linear combination of the basis functions. Several possible extensions of the method to…
Variational (Rayleigh-Ritz) methods are applied to local quantum field theory. For scalar theories the wave functional is parametrized in the form of a superposition of Gaussians and the expectation value of the Hamiltonian is expressed in…
A more reasonable trial ground state wave function is constructed for the relative motion of an interacting two-fermion system in a 1D harmonic potential. At the boundaries both the wave function and its first derivative are continuous and…
This paper investigates the influence of the basis set on the GW self-energy correction in the full-potential linearized augmented-plane-wave (LAPW) approach and similar linearized all-electron methods. A systematic improvement is achieved…
A variational principle is suggested within Riemannnian geometry, in which an auxiliary metric and the Levi Civita connection are varied independently. The auxiliary metric plays the role of a Lagrange multiplier and introduces non-minimal…
We present a systematic study of the Rayleigh--Ritz variational method for quantum oscillators in the Segal--Bargmann space. We rigorously derive the normalizability condition $|\alpha| < \tfrac{1}{2}$ for generalized Gaussian trial…
The extension of the Rayleigh-Ritz variational principle to ensemble states $\rho_{\mathbf{w}}\equiv\sum_k w_k |\Psi_k\rangle \langle\Psi_k|$ with fixed weights $w_k$ lies ultimately at the heart of several recent methodological…
We propose a new radiation condition for an infinite inhomogeneous two-dimensional medium which is periodic in the vertical direction and remains invariant in the horizontal direction. The classical Rayleigh-expansion radiation condition…
Hamiltonian variational principles provided, since 60s, the means of developing very successful wave theories for nonlinear free-surface flows, under the assumption of irrotationality. This success, in conjunction with the recognition that…
In the Projector Augmented Wave (PAW) method, a local potential, basis functions, and projector functions form an All-Electron (AE) basis for valence wave functions in the application of Density Functional Theory (DFT). The construction of…
The scalar G{\"u}nter derivatives of a function defined on the boundary of a three-dimensional domain are expressed as components (or their opposites) of the tangential vector rotational of this function in the canonical orthonormal basis…
Wave amplification in nonlinear dispersive wave equations may be caused by nonlinear focussing of waves from a certain background. In the model of nonlinear Schr\"odinger equation we will introduce a transformation to displaced…
The Rayleigh expansion is widely used as a formal radiation condition in the analysis and numerical treatment of grating diffraction problems for incoming plane waves. However, the Rayleigh expansion does not always lead to uniqueness of…
A Rayleigh wave is a type of surface wave that propagates in the boundary of an elastic solid with traction (or Neumann) boundary conditions. Since the 1980s much work has been done on the problem of constructing a leading term in an…
As experimentalists explore new opportunities in strong field radiation offered by current generation light sources, new theoretical tools become inevitable in dealing with the challenging non-linear dynamics that come into play as a result…
In this paper a lower bound for solutions to the secular equation of the Schr\"odinger equation with basis functions discontinuous on boundaries of divided regions is given. If the functions do not have the discontinuity, the bound reduces…
We show that the numerical results contained in a recent paper are affected by a non optimal implementation of the methods which have been used to obtain these results. A careful analysis done using the Rayleigh-Ritz method provides a…
We consider the class of higher derivative field equations whose wave operator is a square of another self-adjoint operator of lower order. At the free level, the models of this class are shown to admit a two-parameter series of integrals…