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Acta Physica Sinica

Influence of hydrogen-like nucleus mass on electronic state

Zhao-Bin Liu, Kai Li, Tian-Hai Zeng, Feng Wang, Xin-Bing Song, Bin Shao, Jian Xin Zou

Published Dec 2, 2020• 0 citations
Publisher

Abstract

In an isolated two-body composite system, the discussion of how the change of one body affects the state of the other will help to know the relation of a single particle's mixed and pure states. Given 5 one-dimensional hydrogen-like atoms models, each Coulomb interaction potential keeps invariant, while the masses of the nuclei are different. These two-body composite systems stay in their respective entangled state, each electron stays in a mixed state. If we suppose a one-dimensional hydrogen atom model having infinite nuclear mass, the electron stays in a pure state. We select position representation. The wave function of the ground state of the atom has the form of the square root of a δ function. To avoid calculation trouble of δ function, we select the first excited state and the superposed state of the first and the second excited states. We compare the two pure states, the first excited state and the superposed state, with those corresponding mixed states by fidelity and l1 norm coherence, and calculate the purities of the mixed states. The summations become integrations due to the position variable having a continuous eigenvalue spectrum. We investigate the changes in these quantities with the increase of the nuclear mass. The results show that the purities of the mixed states and the fidelities increase with the nuclear mass increasing. However, the coherences of the mixed states decrease with the nuclear mass increasing. This can be explained as that a mixed state with non-zero coherence may approach to a pure eigenstate, while the latter has zero coherence in the eigenspace. These mean that the greater a nuclear mass is, the closer the mixed state approaches to the corresponding pure state. Therefore, the two pure states are the approximations of the corresponding mixed states. The entangled state of the electron and the nucleus is related with the nuclear mass and the Coulomb interaction potential. So, each electron mixed state and its coherence are related with the nucleus and their Coulomb interaction potential. If the nuclear mass is great, the nucleus is approximately motionless or its state is approximately unchanged, and the Coulomb interaction potential approximates to the external Coulomb potential of the electron. The electron approximately stays in a pure state. The state and its coherence are related with the nucleus and the Coulomb interaction. From other point of view, the entangled state of the nucleus and the electron approximates to the product state of the unchanged nucleus state and the electron state. In this case, an electron mixed state approximates to its corresponding pure state, and then these states and their coherences are all related with the nucleus and the Coulomb interaction.

DOI
10.7498/aps.70.20201754

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In an isolated two-body composite system, the discussion of how the change of one body affects the state of the other will help to know the relation of a single particle's mixed and pure states. Given 5 one-dimensional hydrogen-like atoms models, each Coulomb interaction potential keeps invariant, while the masses of the nuclei are different. These two-body composite systems stay in their respective entangled state, each electron stays in a mixed state. If we suppose a one-dimensional hydrogen atom model having infinite nuclear mass, the electron stays in a pure state. We select position representation. The wave function of the ground state of the atom has the form of the square root of a δ function. To avoid calculation trouble of δ function, we select the first excited state and the superposed state of the first and the second excited states. We compare the two pure states, the first excited state and the superposed state, with those corresponding mixed states by fidelity and l1 norm coherence, and calculate the purities of the mixed states. The summations become integrations due to the position variable having a continuous eigenvalue spectrum. We investigate the changes in these quantities with the increase of the nuclear mass. The results show that the purities of the mixed states and the fidelities increase with the nuclear mass increasing. However, the coherences of the mixed states decrease with the nuclear mass increasing. This can be explained as that a mixed state with non-zero coherence may approach to a pure eigenstate, while the latter has zero coherence in the eigenspace. These mean that the greater a nuclear mass is, the closer the mixed state approaches to the corresponding pure state. Therefore, the two pure states are the approximations of the corresponding mixed states. The entangled state of the electron and the nucleus is related with the nuclear mass and the Coulomb interaction potential. So, each electron mixed state and its coherence are related with the nucleus and their Coulomb interaction potential. If the nuclear mass is great, the nucleus is approximately motionless or its state is approximately unchanged, and the Coulomb interaction potential approximates to the external Coulomb potential of the electron. The electron approximately stays in a pure state. The state and its coherence are related with the nucleus and the Coulomb interaction. From other point of view, the entangled state of the nucleus and the electron approximates to the product state of the unchanged nucleus state and the electron state. In this case, an electron mixed state approximates to its corresponding pure state, and then these states and their coherences are all related with the nucleus and the Coulomb interaction.
This chapter presents a detailed analysis of the hydrogen-like atom within the framework of quantum mechanics. The radial Schrödinger equation is solved for the Coulomb potential, yielding the quantized energy spectrum, energy eigenstates, and the associated degeneracy of levels. The expectation value of the electron's radius is calculated, and a comparison is drawn between quantum predictions and classical circular orbits. The quantum two-body problem is introduced to account for the motion of the nucleus, revealing its influence on the energy levels of the electron. This correction underpins the operation of the mass spectrometer and supports the spectroscopic identification of hydrogen isotopes such as deuterium and tritium. The analysis also explains how similar effects confirm the presence of helium in the solar spectrum through astrophysical observations. Metadata/Keywords: hydrogen-like atom, Coulomb potential, energy spectrum, quantum orbits, nucleus motion, two-body problem, mass spectrometer, hydrogen isotopes, helium, solar spectrum
Hyperfine splittings play an important role in quantum information and spintronics applications. They allow for the readout of the spin qubits, while at the same time providing the dominant mechanism for the detrimental spin decoherence. Their exact knowledge is thus of prior relevance. In this work, we analytically investigate the relativistic effects on the hyperfine splittings of hydrogen-like atoms, including finite-size effects of the nucleis’ structure. We start from exact solutions of Dirac’s equation using different nuclear models, where the nucleus is approximated by (i) a point charge (Coulomb potential), (ii) a homogeneously charged full sphere, and (iii) a homogeneously charged spherical shell. Equivalent modelling has been done for the distribution of the nuclear magnetic moment. For the 1s ground state and 2s excited state of the one-electron systems H1, H2, H3, and He+3, the calculated finite-size related hyperfine shifts are quite similar for the different structure models and in excellent agreement with those estimated by comparing QED and experiment. This holds also in a simplified approach where relativistic wave functions from a Coulomb potential combined with spherical-shell distributed nuclear magnetic moments promises an improved treatment without the need for an explicit solution of Dirac’s equation within the nuclear core. Larger differences between different nuclear structure models are found in the case of the anisotropic 2p3/2 orbitals of hydrogen, rendering these excited states as promising reference systems for exploring the proton structure.
The momentum-space wave functions have been obtained for the one-dimensional hydrogen atom and the symmetric and antisymmetric states of the one-dimensional hydrogen molecule ion with δ-function interactions between the particles. The uncertainty relation has been evaluated as a function of the distance between the nuclei in the molecule ion. For the symmetric state this is finite for the collapsed molecule. For the antisymmetric state the energy is positive for a nuclear separation less than a0=ℏ2/me2 and the uncertainty in the position of the electron is infinite.
The mere existence of stable atoms, and their arrangement into many-atom nanoscale structures, can only be explained by the laws of quantum mechanics. Indeed, the accumulated evidence regarding the internal structure of atoms motivated the formulation of quantum mechanics at the early twentieth century. Here we focus on single-electron (hydrogen-like) atoms. The dominance of the Coulomb central potential between the electron and nucleus, translates into a simple Schrödinger equation for their relative position distribution. Solving rigorously this equation reveals quantized energy levels, which explains the emission spectra of hydrogen-like atoms (Rydberg formula). The corresponding stationary probability density distributions for the electron around the nucleus are reminiscent of the Bohr model, where classical trajectories (orbits) are replaced by single-electron wave functions (orbitals). The degeneracies of different orbitals, associated with three quantum numbers, will later turn out to be critical for understanding many-electron atoms and the periodic table of the elements.
It is shown that the approximation of a strong Coulomb interaction between electrons results in a new model of the atom with a spatial quantization of electrons accompanied by their quantization in energy. This model implies that electrons rotate in circular orbits centered outside the atomic nucleus and only orbit axes pass through it. The Coulomb interaction between electrons leads to a spherically symmetric distribution of their orbits on the surfaces of equipotential spheres of a spherically symmetric electrostatic field of the nucleus. The distribution is similar to “inscribing” electron orbits into faces of regular nucleus-centered polyhedra so each polyhedron corresponds to a certain electron state (s, p, d, f), and a certain set of polyhedra corresponds to a certain period of the Mendeleev Table. It is shown that a spherically symmetric distribution of electron orbits gives rise to the formation of electron pairs in which electron orbits with a common axis are located symmetrically with respect to the nucleus and the orbital magnetic moments of the electrons are oppositely directed. The physical meaning of the electron spin concept becomes clear. The spin turns out to be related to the orbital magnetic moment of an electron and reflects the fact that two electrons of a pair rotate in opposite directions relative to their common axis. So the spin is one of characteristics of the electron state in the atom associated with electron rotation in the orbit centered outside the nucleus. The atomic model gives an insight into the periodicity of changes in the atomic properties with increasing nuclear charge and the reasons for an electron double energy quantization associated with different states and periods. The model shows that the atomic structure and properties can be explained by using concepts of classical mechanics and classical electrodynamics which regard the electron as a particle.
ABSTRACT: In the present work, we have computed the entanglement between the electronic and nuclear motions in two molecular model systems: the one-dimensional hydrogen molecular ion (H2+) and the Shin-Metiu model, considering the molecules as a bipartite systems: electron and nuclear motion. For that purpose, we have computed the Born-Oppenheimer and non-Born-Oppenheimer (Born-Huang) wave function in terms of the Fourier Grid Hamiltonian basis that expands both the electronic and nuclear wave functions. Also, according to the Schmidt decomposition theorem for bipartite systems, widely used in quantum-information theory, there is a much shorter but equivalent expansion in terms of the Schmidt bases for the electronic and nuclear sub-spaces. In these models of distinguishable coupled particles we have shown that the entanglements contents do not increase monotonically with the excitation energy. In the hydrogen molecular ion and in the ShinMetiu model, the entanglements contents for each Born-Oppenheimer electro-nuclear state is quantified through the von-Neumann and linear entropies and we have shown that entanglement serves as a witness of distinguishability of nuclear states related to different Born-Oppenheimer molecular energy curves or electronic excitation modes.