A quantum Monte Carlo study of confined quantum systems: application to harmonic oscillator and hydrogenic-like atoms

作者：Barbosa Thiago N^*; Almeida Marcos M; Prudente Frederico V

来源：Journal of Physics B: Atomic, Molecular and Optical Physics , 2015, 48(5): 055002.

DOI：10.1088/0953-4075/48/5/055002

• quantum Monte Carlo
• electronic confined systems
• hydrogenic-like atoms

The correlation function quantum Monte Carlo (CFQMC) approach is employed to study the energy spectra of confined quantum systems. This method, applied originally to determine rovibrational eigenenergies of molecules, is utilized here to calculate the energy levels of hydrogen atom, helium cation, lithium dication and two confined harmonic oscillator (HO) models: the one-dimensional HO within a box of impenetrable walls and the three-dimensional one confined by an impenetrable spherical box. The dependence of the eigenenergies on functional form and the number of the basis functions are analyzed for various confinement parameters. The present results are compared with those previously published, and the efficiency of the CFQMC method to treat confined quantum systems is discussed.

• 出版日期2015-3-14