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Full-Text Articles in Physical Sciences and Mathematics
Synthesis And Reactivity Of Some Fe(0) And Ru(0) Compounds, Michael E. Hawkins
Synthesis And Reactivity Of Some Fe(0) And Ru(0) Compounds, Michael E. Hawkins
Masters Theses
The catalytic activity of the compounds used in this study, Ru[P(C6H5)3]4 (η2-CH3CN)⋅CH3CN, Ru(CO)[P(C6H5)3]3CH3CN, Ru(CO)2[P(C6H5)3]3, Fe(CO)2[P(C6H5)3]3 was compared using the isomerization of allylbenzene to β-methylstyrene as the test reaction. The measured decreasing order of reactivity for these complexes is: Ru(CO)[P(C6H5)3]3CH3CN > Ru[P(C6H5)3]4 (η …
A Numerical Method For The Solution Of The Schrödinger Equation By A Trial Wavefunction Improvement Formula, Chun-Sheng Ko
A Numerical Method For The Solution Of The Schrödinger Equation By A Trial Wavefunction Improvement Formula, Chun-Sheng Ko
Masters Theses
A numerical method and corresponding computer algorithm for solving the one-dimensional radial Schrödinger equation to any desired accuracy is developed. The method uses a finite difference scheme in which an initial trial wavefunction is digitalized over a lattice covering the region of integration. The values of a rough solution are then altered at each lattice point by a simple improvement formula decreasing the value of the variational energy until the desired minimum is reached. The accuracy of these solutions depends only on the grid size. This method is characterized and tested with a harmonic oscillator potential. Practical evaluations and applications …