This manuscript investigates the electronic structures, spectral properties, and photoionization processes of the confined atomic system. For this purpose, a relativistic methodology employing the Dirac–Coulomb Hamiltonian within the context of relativistic configuration interaction is suggested, utilizing independent particle basis wavefunctions. The key idea of this approach is to place the atom inside a Gaussian potential, which gives a realistic description of the spatial confinement in quantum dots due to a smooth change at the quantum dot boundaries and has a finite range and depth for the spatial confinement. As a result, the local central potential is modified, which is determined by a self-consistent process. The solutions to the Dirac equation, incorporating the aforementioned central potential, yield both the continuous and bound state wave functions. The photoionization process is determined through the application of the distorted wave approach within the context of relativistic Dirac theory. As an application, the electronic structures of the confined Li atom, including energies, ionization potentials, transition rates, and photoionization dynamical properties such as wave functions, cross sections, and photoelectron angular distributions, are systematically investigated within the dipole approximation for a wide range of potential depths and confining radii. A systematic comparison of the present outcomes is made with other available results. The present study is not only meaningful for fundamental research in atomic and molecular physics, but also has implications for a range of disciplines, such as nanochemistry, materials science, and other related fields.

中文翻译：

---

高斯势域下多电子系统的电子结构和单光电离的理论探索


本手稿研究了受限原子系统的电子结构、光谱特性和光电离过程。为此，提出了一种相对论方法，在相对论构型相互作用的背景下采用狄拉克-库仑哈密顿量，利用独立的粒子基波函数。这种方法的关键思想是将原子置于高斯势能内，由于量子点边界的平滑变化，它真实地描述了量子点中的空间限制，并且空间限制的范围和深度有限。结果，局部中心电位被修改，这是由自洽过程确定的。狄拉克方程的解，结合上述中心势，产生连续态波函数和束缚态波函数。光电离过程是通过在相对论狄拉克理论的背景下应用扭曲波方法来确定的。作为一种应用，在偶极子近似中系统研究了受限 Li 原子的电子结构，包括能量、电离电位、跃迁速率和光电离动力学特性，如波函数、横截面和光电子角度分布，适用于广泛的电位深度和限制半径。将目前的结局与其他现有结果进行了系统比较。本研究不仅对原子和分子物理学的基础研究具有意义，而且对纳米化学、材料科学和其他相关领域等一系列学科也有影响。