Results: 6
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 ...
... 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 ...
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 ...
... 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. 1. Арсеньев А. А. Оценка функции Грина оператора Шрёдингера // Теоретическая и математическая физика. 1998. Т....
It was considered a two-dimensional model of the interaction of a charged micro satellite and thermal plasma. The method of molecular dynamics used as a modeling method. Ion concentration distributions near SC were calculated for 10 and 102 protons in cm2 and the two values of relative satellite velocity and plasma were considered — 8 and 20 km s-1, respectively. It is shown that an increase in velocity and concentration of particles of ion shadow behind the satellite becomes more expressed....
Mathematical model of interaction between low density thermal plasma with charged simple shape space probe was considered. Molecular dynamics simulation method was used. Modeling result shows a positive cloud of protons before the satellite and ion shadow behind it. 1. Гальпеpин Ю. И., Гpигоpьев С. А., Зинин Л. В. и др. Расчеты распределения электрического потенциала вокруг спутника ...