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Tully, Shane P.; Stitt, Thomas M.; Caldwell, Robert D.; Hardock, Brian J.; Hanson, Robert M.; Maslak, Przemyslaw – Journal of Chemical Education, 2013
A Monte Carlo method is used to generate interactive pointillist displays of electron density in hydrogenic orbitals. The Web applet incorporating Jmol viewer allows for clear and accurate presentation of three-dimensional shapes and sizes of orbitals up to "n" = 5, where "n" is the principle quantum number. The obtained radial…
Descriptors: Visual Aids, Monte Carlo Methods, Interactive Video, Computer Uses in Education
Davis, Stephen L. – Journal of Chemical Education, 2007
The practicality and usefulness of variational Monte Carlo calculations to atomic structure are demonstrated. It is found to succeed in quantitatively illustrating electron shielding, effective nuclear charge, l-dependence of the orbital energies, and singlet-tripetenergy splitting and ionization energy trends in atomic structure theory.
Descriptors: Nuclear Physics, Monte Carlo Methods, Chemistry, College Science

Para, A. Foglio; Lazzarini, E. – Journal of Chemical Education, 1974
Descriptors: Chemistry, Computer Assisted Instruction, Flow Charts, Instruction

Kay, Jack G.; And Others – Journal of Chemical Education, 1988
Describes two applications of the microcomputer for laboratory exercises. Explores radioactive decay using the Batemen equations on a Macintosh computer. Provides examples and screen dumps of data. Investigates polymer configurations using a Monte Carlo simulation on an IBM personal computer. (MVL)
Descriptors: Atomic Structure, Chemistry, College Science, Computer Software