Electron and Proton Waves in the Hydrogen Ground State

Susumu Ikeda

James W. Rohlf

The Bohr model is highly successful in explaining many features of the hydrogen atom. The ground state wave function does not have any angular dependence. The normalized hydrogen atom wave functions are directly accessible in Mathematica and can be readily verified as solutions of the Schrodinger equation. Get the hydrogen atom ground state wave function in terms of the Bohr radius a. The probability of finding the electron per volume at a given location is given by the square of the wave function. The electron has only a very tiny probability of being found inside the proton, whose size is about 1 fm.

Maxim Secor, Alexander V. Soudackov, Sharon Hammes‐Schiffer

Artificial neural networks (ANNs) have become important in quantum chemistry. Herein, applications to nuclear quantum effects, such as zero-point energy, vibrationally excited states, and hydrogen tunneling, are explored. ANNs are used to solve the time-independent Schrödinger equation for single- and double-well potentials representing hydrogen-bonded molecular systems capable of proton transfer. ANN mappings are trained to predict the lowest five proton vibrational energies, wave functions, and densities from the proton potentials and to predict the excited state proton vibrational energies and densities from the proton ground state density. For the inverse problem, ANN mappings are trained to predict the proton potential from the proton vibrational energy levels or the proton ground state density. This latter mapping is theoretically justified by the first Hohenberg-Kohn theorem establishing a one-to-one correspondence between the external potential and the ground state density. ANNs for two- and three-dimensional systems are also presented to illustrate the straightforward extension to higher dimensions.

Geoffrey L. Sewell

Ch’ng Han Siong, Shahidan Radiman

In this study, we apply the standard quantization procedure to the Newtonian equation to obtain the Schrödinger equation. The wave function is obtained and subsequently the de Broglie-Bohm interpretation is applied to the wave function to yield the formulas for escape speed. It is shown that the usual Newtonian formula for escape speed is purely resulted from taking the asymptotic form of Bessel functions. We then extend our work to hydrogen atom and show that the work done to eject the electron away from proton is in discrete form. The ionization energy for ground state of hydrogen atom from escape kinetic energy method is obtained.