Heavy-hole bilayer trions of transition metal dichalcogenides by analytical treatment to model He-isoelectronic ions upto dipole factor of Green’s function expansion of Coulomb interaction

• DOI: 10.1016/j.physo.2022.100107
• Publication Date: 2022-04-19T17:33:39Z
• Authors: Shivalika Sharma; Bharti Kapil; Priyanka Aggarwal; Ram Kuntal Hazra
• Keywords: Ansatz; Hamiltonian (control theory)

Electronic structures of heavy-hole trions and He-isoelectronic ions show dependence on transitions among two-electron bound states constituted hydrogenic orbitals for which Coulomb (exchange) interaction causes nontrivial secular divergence to Schrödinger equation (SE). between a pair electrons triggers nonadiabatic due conical intersections larger vibrational amplitudes nuclei. Therefore, existing state-of-art theories ubiquitously urge analytical integrals multipoles electrostatic Green's function expansion. Born–Oppenheimer (BO) approximation separates the hamiltonian into electronic nuclear coordinates at adiabatic limit. Employing associated Laguerre polynomial Whittaker-M basis sets (electronic coordinate) furnishes analytical, terminable, simple finitely summed in terms Lauricella functions. The exact also remedy difficulty arisen from different scaling factors higher order perturbation calculations. Analytical calculations monopole dipole using singly doubly excited (|n2sn4s〉, |n2pn4p〉) with spherical dumbbell symmetries sufficient convergence ground-state energy correction series within 0.20–6.89% reported results. Calculation current-density upto first clearly shows that spherically symmetric do not contribute local current factor. Binding energies transition metal dichalcogenides (TMDCs) are found be good agreement experimentally observed values.