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Related papers: Matrix elements of the Argonne v18 potential

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A one-electron Schroedinger equation based on special one-electron potentials for atoms is shown to exist that produces orbitals for an arbitrary molecule that are sufficiently accurate to be used without modification to construct single-…

Chemical Physics · Physics 2022-05-16 Jerry L. Whitten

A many-body expansion for the computation of the charge form factor in the center-of-mass system is proposed. For convergence testing purposes, we apply our formalism to the case of the harmonic oscillator shell model, where an exact…

Nuclear Theory · Physics 2009-10-31 Bogdan Mihaila , Jochen H. Heisenberg

Single particles moving in a reflection-asymmetric potential are investigated by solving the Schr\"{o}dinger equation of the reflection-asymmetric Nilsson Hamiltonian with the imaginary time method in 3D lattice space and the harmonic…

Nuclear Theory · Physics 2018-06-04 Yuanyuan Wang , Zhengxue Ren

A model potential previously developed for the ammonia molecule is treated in a single-center partial-wave approximation in analogy with a self-consistent field method developed by Moccia. The latter was used in a number of collision…

Chemical Physics · Physics 2024-04-17 Patrik Pirkola , Marko Horbatsch

We consider the numerical integration of the Gross-Pitaevskii equation with a potential trap given by a time-dependent harmonic potential or a small perturbation thereof. Splitting methods are frequently used with Fourier techniques since…

Numerical Analysis · Mathematics 2011-05-02 Philipp Bader , Sergio Blanes

We compute the ground state energy of two atoms in a one-dimensional geometry of a harmonic optical trap. We obtain a dependence of the energy on a one-dimensional scattering length, which corresponds to various strengths of the interaction…

Atomic Physics · Physics 2015-06-16 I. S. Ishmukhamedov , D. S. Valiolda , S. A. Zhaugasheva

We present a method to extract the spectrum of two-particle systems on the lattice from wave functions computed in lattice simulations. The energies of the Hamiltonian eigenstates are extracted from the eigenvalues of a matrix, similar to a…

High Energy Physics - Lattice · Physics 2014-04-01 Bruno Charron , for HAL QCD Collaboration

Multipole matrix elements of Green function of Laplace equation are calculated. The multipole matrix elements of Green function in electrostatics describe potential on a sphere which is produced by a charge distributed on the surface of a…

Mathematical Physics · Physics 2015-09-17 Karol Makuch , Przemysław Górka

We considered the experimental realization of a Tamm medium that is optically equivalent to the collision of two linearly polarized gravitational plane waves as a piecewise homogeneous metamaterial. Our formulation was based on the…

Optics · Physics 2015-06-22 Tom G. Mackay , Akhlesh Lakhtakia

We present a generalized equations-of-motion method that efficiently calculates energy spectra and matrix elements for algebraic models. The method is applied to a 5-dimensional quartic oscillator that exhibits a quantum phase transition…

Nuclear Theory · Physics 2008-11-26 S. Y. Ho , G. Rosensteel , D. J. Rowe

The computation of vibrational spectra of diatomic molecules through the exact diagonalization of algebraically determined matrixes based on powers of Morse coordinates is made substantially more efficient by choosing a properly adapted…

Chemical Physics · Physics 2016-09-28 Andrea Bordoni , Nicola Manini

We present the status of a lattice calculation for the K-->pipi matrix elements of the (delta S=1) effective weak Hamiltonian, directly with two pion in the final state. We study the energy shift of two pion in a finite volume both in the…

High Energy Physics - Lattice · Physics 2012-08-27 Ph. Boucaud , V. Gimenez , C. J. D. Lin , V. Lubicz , G. Martinelli , M. Papinutto , F. Rapuano , C. T. Sachrajda , : , S. P. Qcd R. collaboration

We test the operator form of the Fourier transform of the Argonne V18 potential by computing selected scattering observables and all Wolfenstein parameters for a variety of energies. These are compared to the GW-DAC database and to partial…

Nuclear Theory · Physics 2015-06-05 S. Veerasamy , Ch. Elster , W. N. Polyzou

We write a computer program that uses the recursion relation to calculate wave function in the harmonic-oscillator potential for specified values of E/hv (with its deviation 0.001) containing only even numbers of v (0,2,4,...). In this…

Physics Education · Physics 2007-05-23 Omer Sise

Using the Wentzel-Kramers-Brillouin method, we derive a modified form of the Thomas-Fermi approximation to electron density. This new result enables us to calculate the details of the self-consistent ion cores, as well as the ionization…

Materials Science · Physics 2009-02-23 Gregory C. Dente , Michael L. Tilton

By using the plane-wave expansion for the electromagnetic-field vector potential, transition matrix elements between the relativistic bound and unbound states of hydrogenic atoms were expressed explicitly in terms of finite series made of…

Quantum Physics · Physics 2014-12-17 J. Seke , A. V. Soldatov , M. Polak , G. Adam

The quantum behavior of charge carriers in semiconductor structures is often described in terms of the effective mass Schr\"{o}dinger equation, neglecting the rapid fluctuations of the wave function on the scale of the atomic lattice. For…

Computational Physics · Physics 2019-09-17 Andrea Cagliero , Lyes Rahmouni

In this paper we present eight-component values "octons", generating associative noncommutative algebra. It is shown that the electromagnetic field in a vacuum can be described by a generalized octonic equation, which leads both to the wave…

Mathematical Physics · Physics 2014-06-27 Victor L. Mironov , Sergey V. Mironov

We present an efficient numerical method for computing Hamiltonian matrix elements between non-orthogonal Slater determinants, focusing on the most time-consuming component of the calculation that involves a sparse array. In the usual case…

Nuclear Theory · Physics 2012-10-22 Yutaka Utsuno , Noritaka Shimizu , Takaharu Otsuka , Takashi Abe

We propose an algorithm for calculating matrix elements of the non-linear Boltzmann equation collision integral in isotropic case. These matrix elements are used as starting ones in the recurrence procedure for calculating the matrix…

Computational Physics · Physics 2017-03-28 I. A. Ender , L. A. Bakaleinikov , E. Yu. Flegontova , A. B. Gerasimenko