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Now showing items 1-10 of 14

#### A New Model of the Molecular Bond

(University of Texas at Arlington, 1991)

It is assumed, on the basis of recent supercomputer calculations, that electrons attract, rather than repel. The consequences are explored by means of three
dimensional, molecular mechanics type simulations of ground state ...

#### A New Method for Approximating Quantum Dynamical Phenomena Over Short (and Sometimes Long) Time Periods

(University of Texas at Arlington, 1995)

Approximate electron and proton motions are simulated for short time periods for using a special case of the quantum mechanical Ehrenfest equations. Attention is directed only to ground state. A numerical method is employed ...

#### On the Error in Quasi-Quantum Mechanical Calculations

(University of Texas at Arlington, 1990-06)

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 by quantum mechanics and
trajectories determined by ...

#### On a New Mathematical Model of the Molecular Bond

(University of Texas at Arlington, 2001-05)

Using a new model of the molecular bond, we produce a set of initial conditions for the ground state H2 molecule which yield, over one complete period, bond length and vibrational frequency which are identical to the ...

#### A Particle Model of Ground State H2

(University of Texas at Arlington, 1990-06)

A particle model is developed for the ground state H2 molecule.
Interparticle forces are formulated which are noncoulombic, but
nearly coulombic. The vibration is simulated by a numerical
method which conserves the ...

#### A Semiclassical, Dynamical Model of the Water Molecule

(University of Texas at Arlington, 1995)

A model of the ground state water molecule is formulated dynamically and studied by computer simulations. Excellent approximations of NMR determined bond angles and bond lengths are achieved through electron pairing and ...

#### 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)

Using the recent formulation of Gell-Mann and Hartle for approximating quantum dynamical phenomena by means of classical equations, we simulate electron motions in ground state H2+, in ground state H2, and in the first ...

#### Dynamical Simulation of the Simplest Hydrides

(University of Texas at Arlington, 1996)

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 for the solution of Newton's equations and a novel ...

#### Electron Attraction as a Mechanism for the Chemical Bond of Ground State H2

(University of Texas at Arlington, 1993)

Previously, electron attraction, incorporated into classical models of the chemical bond, yielded correct bond lengths and vibrational frequencies for all the diatomic molecules through 02. In each case, maximally symmetric ...

#### Accurate Quasi-Quantum Mechanical Numerical Methodology

(University of Texas at Arlington, 1990-10)

A quasi-quantum mechanical method in which energy is determined
by quantum mechanics and motion by Newtonian mechanics is
studied by combining it with numerical methodology which
conserves energy exactly at each time ...