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Fundamentally, an atomic orbital is a one-electron wave function, even though many electrons are not in one-electron atoms, and so the one-electron view is an approximation. When thinking about orbitals, we are often given an orbital visualization heavily influenced by the Hartree–Fock approximation, which is one way to reduce the ...
The orbitals are thus expressed as linear combinations of basis functions, and the basis functions are single-electron functions which may or may not be centered on the nuclei of the component atoms of the molecule. In either case the basis functions are usually also referred to as atomic orbitals (even though only in the former case this name ...
In chemistry and atomic physics, an electron shell may be thought of as an orbit that electrons follow around an atom's nucleus.The closest shell to the nucleus is called the "1 shell" (also called the "K shell"), followed by the "2 shell" (or "L shell"), then the "3 shell" (or "M shell"), and so on further and further from the nucleus.
An electron shell is the set of allowed states that share the same principal quantum number, n, that electrons may occupy. In each term of an electron configuration, n is the positive integer that precedes each orbital letter (helium's electron configuration is 1s 2, therefore n = 1, and the orbital contains two
The shielding effect can be defined as a reduction in the effective nuclear charge on the electron cloud, due to a difference in the attraction forces on the electrons in the atom. It is a special case of electric-field screening. This effect also has some significance in many projects in material sciences.
In a simulation, the potential energy of an atom, , is given by [3] = (()) + (), where is the distance between atoms and , is a pair-wise potential function, is the contribution to the electron charge density from atom of type at the location of atom , and is an embedding function that represents the energy required to place atom of type into the electron cloud.
The left column shows MO's which are occupied in the ground state, with the lowest-energy orbital at the top. The white and grey line visible in some MO's is the molecular axis passing through the nuclei. The orbital wave functions are positive in the red regions and negative in the blue.
Pictorial description of how an electron beam may interact with a sample with nucleus N, and electron cloud of electron shells K,L,M. Showing transmitted electrons and elastic/inelastically scattered electrons. SE is a Secondary Electron ejected by the beam electron, emitting a characteristic photon (X-Ray) γ.