English
Related papers

Related papers: Calculating the hydrogen molecule ion using the tw…

200 papers

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

We relax the usual diagonal constraint on the matrix representation of the eigenvalue wave equation by allowing it to be tridiagonal. This results in a larger solution space that incorporates an exact analytic solution for the non-central…

Chemical Physics · Physics 2009-11-13 A. D. Alhaidari

Time-dependent close-coupling calculations of the ionization and excitation cross section for antiproton collisions with molecular hydrogen ions are performed in an impact-energy range from 0.5 keV to 10 MeV. The Born-Oppenheimer and…

Atomic Physics · Physics 2015-05-13 Armin Lühr , Alejandro Saenz

A general approach to evaluation of two-centre two-electron exponential integrals with arbitrary parameters is presented. The results for the Born-Oppenheimer potential for various excited states of molecular hydrogen with Ko{\l}…

Chemical Physics · Physics 2015-06-16 Krzysztof Pachucki

A solution of the two-dimensional Schr\"odinger equation with Pauli-Fierz Hamiltonian and trigonometric double-well potential is obtained within the framework of the first-order of adiabatic approximation. The case of vibrational strong…

Chemical Physics · Physics 2025-07-21 A. E. Sitnitsky

In this work we study the last two hydrogen molecular ion isotopologues: DT$^+$ and T$_2^+$, for which high-precision calculations have not yet been made. We obtain the nonrelativistic solutions of the Schr\"odinger equation for the wide…

Atomic Physics · Physics 2025-07-17 D. T. Aznabayev , D. B. Zhomartova , A. K. Bekbaev , Vladimir I. Korobov

System of two-fluid hydrodynamics of superfluid helium with the account of electric field is obtained. These equations are obtained in kinetic approach using quasi-equilibrium distribution function of quasi-particles, which vanishs…

Other Condensed Matter · Physics 2010-10-08 V. D. Khodusov , A. S. Naumovets

We use the tridiagonal representation approach to solve the radial Schr\"odinger equation for the continuum scattering states of the Kratzer potential. We do the same for a radial power-law potential with inverse-square and inverse-cube…

Quantum Physics · Physics 2023-11-16 A. D. Alhaidari , M. E. H. Ismail

The study of highly charged electronic and muonic hydrogen-like ions, provides an intriguing way to probe the internal structure of their atomic nuclei. In this work, we use nuclear structure calculations to accurately calculate the…

We introduce an efficient scheme for the molecular dynamics of electronic systems by means of quantum Monte Carlo. The evaluation of the (Born-Oppenheimer) forces acting on the ionic positions is achieved by two main ingredients: i) the…

Strongly Correlated Electrons · Physics 2007-05-23 Sandro Sorella , Claudio Attaccalite

The exact solution of the Schr\"odinger equation for the one-dimensional system of interacting particles with the linear dispersion law in an arbitrary external field is found. The solution is reduced to two groups of particles moving with…

Mesoscale and Nanoscale Physics · Physics 2018-01-17 M. V. Entin , L. S. Braginsky

Schrodinger's equation predicts something very peculiar about the electron in the Hydrogen atom: its total energy must be equal to zero. Unfortunately, an analysis of a zero-energy wavefunction for the electron in the Hydrogen atom has not…

General Physics · Physics 2015-05-13 Ezzat G. Bakhoum

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

We revisit the quantum-mechanical two-dimensional hydrogen atom with an electric field confined to a circular box of impenetrable wall. In order to obtain the energy spectrum we resort to the Rayleigh-Ritz method with a polynomial basis…

Quantum Physics · Physics 2025-04-29 Paolo Amore , Francisco M. Fernández

The full-dimensional time-dependent Schrodinger equation for the electronic dynamics of single-electron systems in intense external fields is solved directly using a discrete method. Our approach combines the finite-difference and Lagrange…

Atomic Physics · Physics 2009-11-10 Liang-You Peng , J F McCann , Daniel Dundas , K T Taylor , I D Williams

We solve the time-dependent Schr\"odinger equation describing a water molecule driven by a superposition of the XUV and IR pulses typical for a RABBITT experiment. This solution is obtained by a combination of the time-dependent coordinate…

Atomic Physics · Physics 2018-01-17 Vladislav V. Serov , A. S. Kheifets

An improved hyperspherical harmonic method for the quantum three-body problem is presented to separate three rotational degrees of freedom completely from the internal ones. In this method, the Schr\"{o}dinger equation of three-body problem…

Atomic Physics · Physics 2015-06-26 Zhong-Qi Ma , An-Ying Dai

A simple real-space model for the electron wavefunction is suggested, based on a transverse wave with helicity, rotating at mc^2/h. The mapping of the real two-dimensional vector phasor to the complex plane permits this to satisfy the…

Quantum Physics · Physics 2007-05-23 Alan M. Kadin

This article presents the calculation of gravitational and electromagnetic radiation emitted from a classical simple harmonic oscillator (SHO). Here we show only the selected formulae and apply them to a toy problem without rigorous…

General Relativity and Quantum Cosmology · Physics 2022-03-23 Paritosh Verma

Hyperspherical partial wave theory has been applied here in a new way in the calculation of the triple differential cross sections for the ionization of hydrogen atoms by electron impact at low energies for various equal-energy-sharing…

Atomic Physics · Physics 2009-11-07 J. N. Das , S. Paul , K. Chakrabarti