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A quasi-Newton method with cubic regularization is designed for solving Riemannian unconstrained nonconvex optimization problems. The proposed algorithm is fully adaptive with at most ${\cal O} (\epsilon_g^{-3/2})$ iterations to achieve a…

Optimization and Control · Mathematics 2024-02-21 Mauricio S. Louzeiro , Gilson N. Silva , Jinyun Yuan , Daoping Zhang

Calculating the spectral function of two dimensional systems is arguably one of the most pressing challenges in modern computational condensed matter physics. While efficient techniques are available in lower dimensions, two dimensional…

Strongly Correlated Electrons · Physics 2021-12-08 Douglas Hendry , Hongwei Chen , Phillip Weinberg , Adrian E. Feiguin

We derive a formula that simplifies the original asymptotic iteration method formulation to find the energy eigenvalues for the analytically solvable cases. We then show that there is a connection between the asymptotic iteration and the…

Quantum Physics · Physics 2009-11-13 I. Boztosun , M. Karakoc

For Hamiltonian systems, simulation algorithms that exactly conserve numerical energy or pseudo-energy have seen extensive investigation. Most available methods either require the iterative solution of nonlinear algebraic equations at each…

Numerical Analysis · Mathematics 2022-07-04 Stefan Bilbao , Michele Ducceschi , Fabiana Zama

Harmonic calculations based on density-functional theory are generally the method of choice for the description of phonon spectra of metals and insulators. The inclusion of anharmonic effects is, however, delicate as it relies on…

Materials Science · Physics 2015-06-17 Ion Errea , Matteo Calandra , Francesco Mauri

We describe a semidefinite relaxation method which finds lower bounds to the ground state energy of a quantum Hamiltonian subject to Hermitian linear constraints along with approximations of ground state expectation values. We show that…

Strongly Correlated Electrons · Physics 2026-05-29 Michael G. Scheer

We give a study of some molecular vibration potentials by solving the D-dimensional Schrodinger equation using the asymptotic iteration method (AIM). The eigenvalue values obtained by the AIM are found to agree with analytic solutions. The…

Mathematical Physics · Physics 2012-05-07 D. Agboola

We extend the application of the techniques developed within the framework of the pseudo-Hermitian quantum mechanics to study a unitary quantum system described by an imaginary PT-symmetric potential v(x) having a continuous real spectrum.…

Quantum Physics · Physics 2009-11-11 Ali Mostafazadeh

In this work, we introduce a spectral-infinite element method for solving Einstein's constraint equations in hyperbolic form. As an application of this, we use this method for computing asymptotically flat perturbations of a Kerr black hole…

General Relativity and Quantum Cosmology · Physics 2024-03-19 Leon Escobar-Diaz , Paula Bran

Using the Nikiforov Uvarov method, an application of the relativistic Duffin Kemmer Petiau equation in the presence of a deformed Hulthen potential is presented for spin zero particles. We derived the first order coupled differential radial…

Quantum Physics · Physics 2009-11-10 Fevziye Yasuk , Cuneyt Berkdemir , Ayse Berkdemir , Coskun Onem

In this paper we extend the local iterative Lie-Schwinger block-diagonalization method - introduced in [DFPR3] for quantum lattice systems with bounded interactions in arbitrary dimension- to systems with unbounded interactions, i.e.,…

Mathematical Physics · Physics 2021-09-01 Simone Del Vecchio , Juerg Fröhlich , Alessandro Pizzo

We propose a method to incorporate the coupling between shape and pairing collective degrees of freedom in the framework of the interacting boson model (IBM), based on the nuclear density functional theory. To account for pairing…

Nuclear Theory · Physics 2020-11-18 K. Nomura , D. Vretenar , Z. P. Li , J. Xiang

An alternative multipole expansion of the correlation term is derived. Modified spherical Bessel type functions which simplify as a summation of multiple orders of basic trigonometric functions are generated from this new method. We use…

Quantum Physics · Physics 2017-04-10 Eric Ouma Jobunga

In the Newtonian $n$-body problem for solutions with arbitrary energy, which start and end either at a total collision or a parabolic/hyperbolic infinity, we prove some basic results about their Morse and Maslov indices. Moreover for…

Dynamical Systems · Mathematics 2021-01-29 Xijun Hu , Yuwei Ou , Guowei Yu

We propose an iterative finite element method for solving non-linear hydromagnetic and steady Euler's equations. Some three-dimensional computational tests are given to confirm the convergence and the high efficiency of the method.

Numerical Analysis · Mathematics 2009-12-01 Cédric Boulbe , Tahar Zamène Boulmezaoud , T. Amari

We propose a way of obtaining effective low energy Hubbard-like model Hamiltonians from ab initio Quantum Monte Carlo calculations for molecular and extended systems. The Hamiltonian parameters are fit to best match the ab initio two-body…

Strongly Correlated Electrons · Physics 2015-08-06 Hitesh J. Changlani , Huihuo Zheng , Lucas K. Wagner

We consider a semiclassical linear Boltzmann model with a non local collision operator. We provide sharp spectral asymptotics for the small spectrum in the low temperature regime from which we deduce the rate of return to equilibrium as…

Analysis of PDEs · Mathematics 2022-06-10 Thomas Normand

We present a symmetry projection technique for enforcing rotational and parity symmetries in nuclear-electronic Hartree-Fock wave functions, which treat electrons and nuclei on equal footing. The molecular Hamiltonian obeys rotational and…

Chemical Physics · Physics 2023-11-03 Robin Feldmann , Alberto Baiardi , Markus Reiher

The asymptotic behavior of the molecular continuum wave function has been analyzed within a model of non-overlapping atomic potentials. It is been shown that the representation of the wave function far from a molecule as a plane wave and…

Atomic Physics · Physics 2007-06-12 A. S. Baltenkov

We theoretically study the excitation spectrum of confined macroscopic optical lattices in the Mott-insulating limit. For large systems, a fast numerical method is proposed to calculate the ground state filling and excitation energies. We…

Quantum Gases · Physics 2009-06-30 Dirk-Sören Lühmann , Kai Bongs , Daniela Pfannkuche