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The effective atomic number Z eff, (sometimes referred to as the effective nuclear charge) of an electron in a multi-electron atom is the number of protons that this electron effectively 'sees' due to screening by inner-shell electrons. It is a measure of the electrostatic interaction between the negatively charged electrons and positively ...
An example provided in Slater's original paper is for the iron atom which has nuclear charge 26 and electronic configuration 1s 2 2s 2 2p 6 3s 2 3p 6 3d 6 4s 2.The screening constant, and subsequently the shielded (or effective) nuclear charge for each electron is deduced as: [1]
However, electrons of multi-electron atoms do not experience the entire nuclear charge due to shielding effects from the other electrons. In this case, the nuclear charge of atoms that experience this shielding is referred to as effective nuclear charge. Shielding increases as the number of an atom’s inner shells increases. So from left-to ...
is a constant related to the effective charge of the nucleus, the nuclear charge being partly shielded by electrons. Historically, the effective nuclear charge was estimated by Slater's rules. The normalization constant is computed from the integral =!
The atomic core has a positive electric charge called the core charge and is the effective nuclear charge experienced by an outer shell electron. In other words, core charge is an expression of the attractive force experienced by the valence electrons to the core of an atom which takes into account the shielding effect of core electrons.
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.
Charge number (denoted z) is a quantized and dimensionless quantity derived from electric charge, with the quantum of electric charge being the elementary charge (e, constant). The charge number equals the electric charge ( q , in coulombs ) divided by the elementary charge: z = q / e .
Roughly speaking, a molecular energy state (i.e., an eigenstate of the molecular Hamiltonian) is the sum of the electronic, vibrational, rotational, nuclear, and translational components, such that: = + + + + where E electronic is an eigenvalue of the electronic molecular Hamiltonian (the value of the potential energy surface) at the ...