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The adiabatic ionization energy of a molecule is the minimum amount of energy required to remove an electron from a neutral molecule, i.e. the difference between the energy of the vibrational ground state of the neutral species (v" = 0 level) and that of the positive ion (v' = 0). The specific equilibrium geometry of each species does not ...
An adiabatic process (adiabatic from Ancient Greek ἀδιάβατος (adiábatos) ' impassable ') is a type of thermodynamic process that occurs without transferring heat between the thermodynamic system and its environment. Unlike an isothermal process, an adiabatic process transfers energy to the surroundings only as work and/or mass flow.
Adiabatic ionization is a form of ionization in which an electron is removed from or added to an atom or molecule in its lowest energy state to form an ion in its lowest energy state. [16] The Townsend discharge is a good example of the creation of positive ions and free electrons due to ion impact.
The quantum mechanical definition is closer to the thermodynamical concept of a quasistatic process and has no direct relation with adiabatic processes in thermodynamics. In mechanics , an adiabatic change is a slow deformation of the Hamiltonian , where the fractional rate of change of the energy is much slower than the orbital frequency.
From Koopmans’ theorem the energy of the 1b 1 HOMO corresponds to the ionization energy to form the H 2 O + ion in its ground state (1a 1) 2 (2a 1) 2 (1b 2) 2 (3a 1) 2 (1b 1) 1. The energy of the second-highest MO 3a 1 refers to the ion in the excited state (1a 1) 2 (2a 1) 2 (1b 2) 2 (3a 1) 1 (1b 1) 2, and so on. In this case the order of the ...
All quantities are in Gaussian units except energy and temperature which are in electronvolts.For the sake of simplicity, a single ionic species is assumed. The ion mass is expressed in units of the proton mass, = / and the ion charge in units of the elementary charge, = / (in the case of a fully ionized atom, equals to the respective atomic number).
The electron affinity (E ea) of an atom or molecule is defined as the amount of energy released when an electron attaches to a neutral atom or molecule in the gaseous state to form an anion. X(g) + e − → X − (g) + energy. This differs by sign from the energy change of electron capture ionization. [1]
Simulation of hypersonic speed (Mach 5) While the definition of hypersonic flow can be quite vague and is generally debatable (especially because of the absence of discontinuity between supersonic and hypersonic flows), a hypersonic flow may be characterized by certain physical phenomena that can no longer be analytically discounted as in supersonic flow.