Mathematical Model of Intramolecular Tautomeric Transformation and the Processes of a Relaxation of the Proton
A quantum statistical model of intramolecular tautomeric transformation is offered, accounts for the vibration of a proton as a result of its interaction with the surrounding medium simulated by the quantized field of radiation. Effective adiabatic potentials of the proton are approximated by the parabolas of various curvatures. The estimation for the vibrational relaxation ...
A mathematical simulation and a numerical investigation of dynamics of intramolecular tautomerny transformation without considering processes of a proton relaxation. Part I. A description of a mathematical model
... сложных молекул с использованием суперкомпьютера типа МВС 1000 // Журнал структурной химии. 2005. Т. 46, № 2. С. 303—310.
4. Brickmann J., Zimmermann H. Lingering time of proton in well of double-minimum potential of hydrogen bonds // The Journal of Chemical Physics. 1966. Vol. 50,№ 4. P. 1608—1618.
5. Квитко Г. В., Кузин Э. Л., Шоть Д. В. Численное решение уравнения Шредингера ...
Numerical solution of the Schrödinger equations with polynomial potentials (Part II)
The algorithm of the numerical realization of a fundamental solution of a Cauchy problem for the one-dimensional Schrodinger equation with polynomial potentials is described. The stationary Schrodinger equation for a proton in the double potential well is solved by using Ritz variation method. The Green’s function is formed on a discrete spectrum of these solutions and after that the fundamental solution of the non-stationary Schrodinger equation is numerically ...
Numerical solution of the Schrödinger equations with polynomial potentials (Part I)
... problem and the spectral task for a one-dimensional Schrodinger equations with potential in the form of polynomials m P (x) (m 6) is solved. Numerical calculations are applied to modelling adiabatic potentials with two minima characteristic for a proton in compounds with intramolecular hydrogen bonds.
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Арсеньев А. А.
Оценка функции Грина оператора Шрёдингера // Теоретическая и математическая физика. 1998. Т....
I. Kant and J. Jungius: on the development of critical tradition in the 17th century German philosophy
This article presents a comparative analysis of the “critical programmes” of Joachim Jungius and I. Kant. J. Jungius’s “criticism” is characterised as methodological, whereas that of Kant as reflective. Kant’s “transcendental criticism” is based on transcendental reflection, whereas J. Jungius’s “methodological criticism” requires that critique is grounded in immediate rather than reflective knowledge. Kant is a subjectivist, whereas J. Jungius is an objectivist and realist...
