What can the activation process model give the adiabatic and non-adiabatic approximation?

Application of the activation process model to the molecules, positive molecular ions, clusters, and proteins surrounded of IR laser radiation

“…In Ref. [4] the quantum subsystem notion for the non-adiabatic approach has been given: the quantum subsystem is a potential well with its own infinite set of the vibrational levels which is formed because of non-adiabatic interaction of the vibrating nuclei with electronic shell of the molecule. On the one hand, this motion is based on cosequences of the Hehenberg-Kohn-Levy density functional theory [8], on the other hand, it rests on a conditional probability amplitude analysis in wave mechanics [9].…”

“…i.e., "one big continuous jump (the Boltzmann-Arhenius model) is equal to many little discrete steps" [4]. Therefore the consideration of a molecular structure transformation in the intensive field of laser IR radiation is reduced to a arrangment of a quantum subsystems sequence m at the vibrational levels of harmonic oscillator for the BoltzmannArrhenius model ( …”

“…Here, for numerical simulation of the first-order monomolecular chemical reaction rate constant, two models have been used: the Boltzmann-Arrhenius [2] and the activation process ones [3]. Using the conservation energy law and being aware of that an elementary activation act both in the first and in the second case requires the same amount of energy, it is possible to calculate the number of IR-radiation quantums necessary for the monomolecular chemical reaction course [4]. Earlier, on the basis of the activation process model, the kinetics of folding and insertion for the β-barrel outer membrane protein A (OmpA) of Escherchia coli into dioleoylphosphatidylcholine (DOPC) bilayers has been numerically simulated [4].…”

“…Using the conservation energy law and being aware of that an elementary activation act both in the first and in the second case requires the same amount of energy, it is possible to calculate the number of IR-radiation quantums necessary for the monomolecular chemical reaction course [4]. Earlier, on the basis of the activation process model, the kinetics of folding and insertion for the β-barrel outer membrane protein A (OmpA) of Escherchia coli into dioleoylphosphatidylcholine (DOPC) bilayers has been numerically simulated [4]. In that investigation, simulation of activation barrier has been carried out by means of eleven identical quantum oscillators with the characteristic frequency 1,056 10 13 Hz.…”

“…Development of the activation process model [2,3] led to description of either adiabatic or non-adiabatic processes for a molecular structure transformation [4]. The model is based on two simple assumptions: 1.…”