Compactly supported linear trial for hydrogen

ID: compactly-supported-linear-trial-for-hydrogen

In atomic units, use the radial trial wavefunction with . Its radial norm integral is , its gradient contribution is , and its Coulomb contribution is . In the hydrogen radial Rayleigh quotient, this gives the displayed energy, minimized at . It is above the exact hydrogen ground-state energy , as required by the quantum variational principle. The derivative jumps at , but the function has a square-integrable weak first derivative and is an admissible trial for the energy quadratic form. One must use that form rather than assume that a classical second derivative exists at the join.

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