Use appropriate electronic structure software and basis sets of your or your instructors choosing, perform self-consistent field
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Use appropriate electronic structure software and basis sets of your or your instructor’s choosing, perform self-consistent field calculations for the ground electronic states of H2 and F2. Determine ground-state energies and equilibrium geometries. Compare computed equilibrium bond lengths to experimental values.
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Thorough Explanation The groundstate energy of H2 is 074 Hartree and the equilibrium bond length ...View the full answer
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Related Book For
Physical Chemistry Thermodynamics And Kinetics
ISBN: 9781464124518
10th Edition
Authors: Peter Atkins, Julio De Paula
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