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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 ...
Computer Simulation of a Dynamical Model of the Water Molecule
(University of Texas at Arlington, 1982-07)
**Please note that the full text is embargoed** ABSTRACT: A new computer-orlented theory for molecular dynamics is applied
to modeling the water molecule. The dynamical equations are
derived from molecular stability ...
Supercomputer Simulation of Cracks and Fractures by Quasimolecular Dynamics
(University of Texas at Arlington, 1989)
**Please note that the full text is embargoed** ABSTRACT: The gross physical behavior of solids and liquids is the result of atomic or molecular reactions to external forces. Using molecular dynamics, we can study such ...
Local Atomic Temperature
(University of Texas at Arlington, 1989-10)
**Please note that the full text is embargoed** ABSTRACT: For the study of phase-transition by molecular dynamics, the concept of local temperature is desirable. Such a concept is defined and studied in this paper. From ...
A New Computer Approach to Atomic Electron Configuartions with Application to the Elements from Helium Through Oxygen
(University of Texas at Arlington, 1979-10)
**Please note that the full text is embargoed** ABSTRACT: In this paper a new, computer approach is developed for atomic and molecular dynamics. Though classical in nature, it includes all electron-electron
interactions. ...
Rapid Computation of the Energy States of Two-Electron Atoms and Ions with an Explicit Formula for the Excited States of Helium
(University of Texas at Arlington, 1985-05)
**Please note that the full text is embargoed** ABSTRACT: A new computational approach is
developed for the energy states of
two electron atoms and ions. The
theory incorporates a classical
interpretation of electron ...