We study the ground state energy and the critical screening parameter of the Yukawa potential in nonrelativistic quantum mechanics. After a short review of the existing literature on these quantities, we apply fifth-order perturbation theory to the calculation of the ground state energy, using the exact solutions of the Coulomb potential together with a cutoff on the principal number summations. We also perform a variational calculation of the ground state energy using a Coulomb-like radial wave function and the exact solution of the corresponding minimization condition. For not too large values of the screening parameter, close agreement is found between the perturbative and variational results. For the critical screening parameter, we devise a novel method that permits us to determine it to 10 digits. This is the most precise calculation of this quantity to date, and allows us to resolve some discrepancies between previous results.
We study the ground state energy and the critical screening parameter of the Yukawa potential in nonrelativistic quantum mechanics. After a short review of the existing literature on these quantities, we apply fifth-order perturbation theory to the calculation of the ground state energy, using the exact solutions of the Coulomb potential together with a cutoff on the principal number summations. We also perform a variational calculation of the ground state energy using a Coulomb-like radial wave function and the exact solution of the corresponding minimization condition. For not too large values of the screening parameter, close agreement is found between the perturbative and variational results. For the critical screening parameter, we devise a novel method that permits us to determine it to 10 digits. This is the most precise calculation of this quantity to date, and allows us to resolve some discrepancies between previous results.
We study the quantum-mechanical bootstrap as it applies to the bound states of several central potentials in three dimensions. As part of this effort, we show how the bootstrap approach may be applied to ``non-algebraic'' potentials, such as the Yukawa potential (which asymptotically decays as an exponential) and a Gaussian potential. We additionally review the bootstrap of the Coulomb potential, demonstrate a high-precision bootstrap of the Cornell potential, and study conformal quantum mechanics. These results further recommend the bootstrap as a numerical method for high-precision calculations of ground-state physics, where applicable: for example, we are able to determine the critical coupling in the Cornell potential to better than one part in 107, the most precise determination to date. Lower bounds on energies are also of high precision, occasionally one part in greater than 108. Finally, we discuss the circumstances under which we are able to obtain meaningful upper bounds on ground-state energies.
Estimates and critical stability thresholds characterizing the ground-state energies have been established with the help of a quasi- classical generalization of the virial theorem proposed previously. This enables us to evaluate ground-state energies in terms of the minima of corresponding Hamiltonian dispersions. Relativistic (m1=m2=m0) and nonrelativistic two-body Hamiltonians with Coulomb and Yukawa potentials have been considered. For relativistic spin-(1/2) particles, as well as for the nonrelativistic ones, the calculations proceed by fixing to unity the underlying phase-space quantum.
In this work, the ground-state energy of the lithium atom is systematically investigated using both time-independent perturbation theory and the variational method to provide a comprehensive pedagogical analysis of many-body atomic systems. The unperturbed Hamiltonian is initially constructed by neglecting electron-electron interactions, treating the system as three independent hydrogen-like electrons to yield a zeroth-order energy baseline of -275.51 eV. The antisymmetric fermionic nature of the exact wave function is rigorously enforced through the Slater determinant formalism. First-order perturbation theory is applied to evaluate static inter-electronic repulsion using exact Coulomb and exchange integrals, refining the energy state to -192.01 eV. To account for dynamical electronic correlation, second-order perturbation theory is computed numerically for virtual single-electron s-orbital transitions, leading to a total perturbative energy of -196.36 eV. A brief discussion of two-electron excitations is also included to encapsulate further physical realism within the framework. Furthermore, a non-orthogonal two-parameter variational approach is employed to model the shell-specific shielding effect. By optimizing the effective nuclear charges, the variational method establishes a superior upper bound energy of -201.187 eV. The results of both methods are comprehensively contrasted against each other and the reference baseline to provide critical insights into the nature of electron correlation and screening in multi-electron atoms.
The question of stability of a given quantum system made up of charged particles is of fundamental interest in atomic, molecular, and nuclear physics. In this work, the stability for the negatively charged positronium (Ps)-like ions or the three-body system ( Z e + , e − , e − ) with Yukawa potentials is studied using correlated exponential wavefunctions based on the Ritz variational method. We obtained the critical screening parameter μ C as a function of the continuously varied nuclear charge Z , the critical nuclear charge Z C as a function of the screening parameter μ , and the ionization energies in terms of the screening parameter μ and Z . The critical nuclear charge for the bare Coulomb system ( Z e + , e − , e − ) obtained using 700-term correlated exponential wavefunctions is in accord with the reported results. The ionization energy, μ C , and Z C for the Yukawa system ( Z e + , e − , e − ) exhibit interesting behaviors. The present study describes the possible nonexistence of Borromean binding as well as Efimov states. The possible existence of quasi-bound resonances states for the negatively charged screened Ps-like ions is briefly discussed.
Variational calculations of the ground-state energy of hard-sphere, helium-4, Coulomb, and nuclear Yukawa fluids are carried out. The long-range part v(r>d) and a constant part $\ensuremath{\lambda}$ at r<d of the bare interaction are assumed to contribute to the average field. The correlation function f(r) is obtained by minimizing the two-body cluster contribution due to the remainder interaction, and the distance d is determined by minimizing the energy as calculated with the hierarchy of hypernetted-chain-type equations. The convergence of two- and three-particle distribution functions given by these equations is discussed. The method is shown to be exact in the low-density limit, and the comparison of the present results with the available exact (standard) results in the high-density limit (region) verifies its accuracy over the entire density range. It is shown that the variationally obtained value of d in the high-density Coulomb fluid can be understood with conventional meanfield theory. A solidification criterion is obtained by studying the energies in liquid and solid phases with the present f(r). This criterion explains the solidification of the Coulomb, hard-sphere, and helium systems, and the inability of the nuclear Yukawa system to solidify. The variational method in the form presented here could be very useful for studying complicated quantum systems.
The calculation of the many-electron (screened) Coulomb and exchange integrals is a very common task to perform in modern electronic structure theory. While an analytical treatment of the complete integrals is too complicated to be attempted directly, essential insight can be gained by focusing on the most significant contributions, as determined by a physical criterion. The monopole term of the screened Coulomb interaction is particularly important, since it defines the Hubbard interaction U among a set of localized electrons, which is an essential parameter for effective models of strongly correlated systems. Here, we derive an analytical solution for the matrix elements of the screened Coulomb interaction on a plane-wave basis, which is routinely used in the most common methods for electronic structure calculations. Screening is treated using a Yukawa potential, which is suitable to describe the valence electrons in the Fermi level region. For the solution of the integrals, the plane waves and the Yukawa potential are first expanded in Bessel functions of first and second kind. Then, by means of the lower and upper incomplete gamma functions, we are able to obtain closed-form integrals of a series that remains convergent for realistic parameters. Our exact solution for the radial integrals of the monopole term can find usage in plane-wave codes for electronic structure calculations, both as an output tool as well as within the computational cycle, as e.g., for many-body extensions of density-functional theory. Considering the importance of Bessel functions in solid state physics and electronic structure theory, it is also easy to foresee that our solution to the various integrals across this work may become useful to several other problems in the field. • Analytical method for matrix elements of the screened Coulomb interaction in plane wave. • Analysis of the monopole term, significant as the Hubbard U in strongly correlated systems. • Closed-form solutions achieved for both long-range and short-range components of integrals. • Method generalizable to evaluate higher-order terms. • Anticipated applicability to plane-wave codes for physical analysis and hybrid functional routines.