相关论文: Finding the best basis states for the variation af…
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…
In this paper, we study the mixing of one-particle-one-hole projected states with the variation after projection (VAP) wave functions in attempt to improve the approximation of this method. It turns out that when minimizing only the lowest…
We present a novel and simple algorithm in the variation after projection (VAP) approach for the non-yrast nuclear states. It is for the first time that the yrast state and non-yrast states can be varied on the same footing. The…
In Kohn-Sham electronic structure computations, wave functions have singularities at nuclear positions. Because of these singularities, plane-wave expansions give a poor approximation of the eigenfunctions. In conjunction with the use of…
The Projected Augmented Waves (PAW) method is based on a linear transformation between the pseudo wavefunctions and the all electron wavefunctions. To obtain high accuracy with this method, it is important that the local part of the linear…
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…
In solid-state physics, energies of crystals are usually computed with a plane-wave discretization of Kohn-Sham equations. However the presence of Coulomb singularities requires the use of large plane-wave cut-offs to produce accurate…
We present the numerical code TAURUS_vap that solves the variation after particle-number projection equations for symmetry-unrestricted real Bogoliubov quasiparticle states represented in a spherical harmonic oscillator basis. The model…
Low-lying shell model states may be approximated accurately by a sum over products of proton and neutron states. The optimal factors are determined by a variational principle and result from the solution of rather low-dimensional eigenvalue…
An intrinsic measure of the quality of a variational wave function is given by its overlap with the ground state of the system. We derive a general formula to compute this overlap when quantum dynamics in imaginary time is accessible. The…
We study the performance of permanent states (the bosonic counterpart of the Slater determinant state) as approximating functions for bosons, with the intention to develop variational methods based upon them. For a system of $N$ identical…
The Hartree-Fock approximation for bosons employs variational wave functions that are a combination of permanents. These are bosonic counterpart of the fermionic Slater determinants, but with the significant distinction that the…
A self-consistent calculation with variation after parity projection is proposed to study both ground and excited states of light nuclei. This procedure provides description of the ground state incorporating some correlation effects, and…
Waveform design is a pivotal component of the fully adaptive radar construct. In this paper we consider waveform design for radar space time adaptive processing (STAP), accounting for the waveform dependence of the clutter correlation…
The ADAPT-VQE approach is used to solve the neutron-proton pairing problem in atomic nuclei. This variational approach is considered today as one of the most powerful methods to iteratively find the ground state of a many-body problem,…
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…
A large number of wave modes exist in a magnetized plasma. Their properties are determined by the interaction of particles and waves. In a simulation code, the correct treatment of field quantities and particle behavior is essential to…
Alternating projection (AP) of various forms, including the Parallel AP (PAP), Real-constrained AP (RAP) and the Serial AP (SAP), are proposed to solve phase retrieval with at most two coded diffraction patterns. The proofs of geometric…
We discuss a variational calculation for nuclear shell-model calculations and propose a new procedure for the energy-variance extrapolation (EVE) method using a sequence of the approximated wave functions obtained by the variational…
In this article, variational state estimation is examined from the dynamic programming perspective. This leads to two different value functional recursions depending on whether backward or forward dynamic programming is employed. The result…