Related papers: Molecular Energy Relations From Chemical Kinetics
Without wasting time and effort on philosophical justifications and implications, we write down the conditions for the Hamiltonian of a quantum system for rendering it mathematically equivalent to a deterministic system. These are the…
Ab initio calculations including electron correlation are still extremely costly except for the smallest atoms and molecules. Therefore, our purpose in the present study is to employ a bond-order correlation approach to obtain, via…
We calculate the energy of a homogeneous one component plasma and find that the energy is lower for correlated motions of the particles as compared to uncorrelated motion. Our starting point is the conserved approximately relativistic…
For the one-dimensional linear kinetic equations with collisional frequency of the molecules, proportional to the module velocity of molecules, analytical solutions of problems about temperature jump and weak evaporation (condensation) in…
A method for integrating the chemical equations associated with nuclear combustion at high temperature is presented and extensively checked. Following the idea of E. M\"uller, the feedback between nuclear rates and temperature was taken…
The transformation from angle-action variables to Cartesian coordinates is a crucial step of the (semi) classical description of bimolecular collisions and photo-fragmentations. The basic reason is that dynamical conditions corresponding to…
The variation of the energy for a gravitational system is directly defined from the Hamiltonian field equations of General Relativity. When the variation of the energy is written in a covariant form it splits into two (covariant)…
Conservation laws are discussed in conjunction with quantum-mechanical indeterminacies of the corresponding observables. The considered examples show that the connections between energy and its indeterminacy may be quite intricate. The…
In continuum mechanics, the equations of motion for mixtures are derived through the use of Hamilton's extended principle which regards the mixture as a collection of distinct continua. The internal energy is assumed to be a function of…
We investigate the behavior of energy fluctuations in several models of granular gases maintained in a non-equilibrium steady state. In the case of a gas heated from a boundary, the inhomogeneities of the system play a predominant role.…
A brief survey of theoretical approaches to description of multiplicity distributions in high energy processes is given. It is argued that the multicomponent nature of these processes leads to some peculiar characteristics observed…
We study the process of associating molecules from atomic gases using a magnetic field modulation that is resonant with the molecular binding energy. We show that maximal conversion is obtained by optimising the amplitude and frequency of…
The theory of chemical kinetics form the basis to describe the dynamics of chemical systems. Owing to physical and thermodynamic constraints, chemical reaction systems possess various structures, which can be utilized to characterize…
The {\em hydrodynamic} approach to a continuum mechanical description of granular behavior is reviewed and elucidated. By considering energy and momentum conservation simultaneously, the general formalism of {\em hydrodynamics} provides a…
In order to clarify common assumptions on the form of energy and momentum in elasticity, a generalized conservation format is proposed for finite elasticity, in which total energy and momentum are not specified a priori. Velocity, stress,…
A general theory of nucleation for colloids and macromolecules in solution is formulated within the context of fluctuating hydrodynamics. A formalism for the determination of nucleation pathways is developed and stochastic differential…
The quantization of the kinetic energy of a deformed nucleus in curvilinear coordinates in the case of octupole oscillations of its surface firstly has been carried out. The obtained form of the Hamiltonian differs from the previously…
We propose a simple theoretical model for a molecular chemical engine that catalyzes a chemical reaction and converts the free energy released by the reaction into mechanical work. Binding and unbinding processes of reactant and product…
Approximate molecular calculations via standard Kohn-Sham Density Functional Theory are exactly reproduced by performing self-consistent calculations on isolated fragments via Partition Density Functional Theory [Phys. Rev. A 82, 024501…
We present the energetic aspect of open systems which may exchange particles with their environments. Our attention shall be paid to the scale that the motion of the particles is described by the classical Langevin dynamics. Along a…