Atomic orbital , the letters associated with those numbers are K, L, M, N, O, ... respectively. The simplest atomic orbitals are those that are calculated for systems with a single electron, such as the hydrogen atom. An atom of any other element ionized down to a single electron is very similar to hydrogen, and the orbitals take the same form. In the Schrödinger equation for this system of one negative and one positive particle, the atomic orbitals are the eigenstates of the Hamiltonian operator for the energy. They can be obtained analytically, meaning that the resulting orbitals are products of a
Drude particle a changing local environment. Classical Drude particles are massless virtual sites carrying a partial electric charge, attached to individual atoms via a harmonic spring. The spring constant and relative partial charges on the atom and associated Drude particle determine its response to the local electrostatic field, serving as a proxy for the changing distribution of the electronic charge of the atom or molecule. However, this response is limited to a changing dipole moment. This response is not enough to model interactions in environments with large field gradients, which interact with higher order moments. The major computational cost of simulating classical