Search
Now showing items 1-10 of 13
Computer Studies of a Semiclassical Model of the Water Molecule
(University of Texas at Arlington, 1993)
**Please note that the full text is embargoed** ABSTRACT: A semiclassical model of the water molecule is formulated in
ground state as an eleven-body problem. The stiff system of
dynamical, nonlinear, ordinary differential ...
Electron Attraction as a Mechanism for the Chemical Bond of Ground State H2
(University of Texas at Arlington, 1993)
**Please note that the full text is embargoed** ABSTRACT: Previously, electron attraction, incorporated into classical models of the chemical bond, yielded correct bond lengths and vibrational frequencies for all the ...
A Semiclassical, Dynamical Model of Methane
(University of Texas at Arlington, 1993)
**Please note that the full text is embargoed** ABSTRACT: In this paper we present a semiclassical, dynamical model of the ground state methane molecule. The resulting 13-body problem is solved numerically using energy ...
A Particle Model of Ground State H2
(University of Texas at Arlington, 1990-06)
**Please note that the full text is embargoed** ABSTRACT: A particle model is developed for the ground state H2 molecule.
Interparticle forces are formulated which are noncoulombic, but
nearly coulombic. The vibration ...
On the Error in Quasi-Quantum Mechanical Calculations
(University of Texas at Arlington, 1990-06)
**Please note that the full text is embargoed** ABSTRACT: A numerical simulation of the vibration of a ground state H2
molecule is made from a quasi-quantum mechanical point of view,
that is, energy has been determined ...
A Semiclassical, Dynamical Model of the Water Molecule
(University of Texas at Arlington, 1995)
**Please note that the full text is embargoed** ABSTRACT: A model of the ground state water molecule is formulated dynamically and studied by computer simulations. Excellent approximations of NMR determined bond angles and ...
Computer Experiments for Molecular Motions and Chemical Bonding
(University of Texas at Arlington, 1995-12)
**Please note that the full text is embargoed** ABSTRACT: It is shown how to simulate first the ground state molecule H. The correct bond length, period, and electron cloud result. The method is then extended to ground ...
A New Method for Approximating Quantum Dynamical Phenomena Over Short (and Sometimes Long) Time Periods
(University of Texas at Arlington, 1995)
**Please note that the full text is embargoed** ABSTRACT: Approximate electron and proton motions are simulated for short time periods for using a special case of the quantum mechanical Ehrenfest equations. Attention is ...
Dynamical Simulation of the Simplest Hydrides
(University of Texas at Arlington, 1996)
**Please note that the full text is embargoed** ABSTRACT: In agreement with recent results of Gell-Mann and Hartle, we approximate electron motions in ground state Li7H1 and Li7H2 using an energy conserving numerical method ...
Dynamical Generation of Electron Motions in Ground State H2+, in Ground State H2, and in the First Excited State of H2
(University of Texas at Arlington, 1996)
**Please note that the full text is embargoed** ABSTRACT: Using the recent formulation of Gell-Mann and Hartle for approximating quantum dynamical phenomena by means of classical equations, we simulate electron motions in ...