Multiresolution quantum chemistry: basic theory and initial applications.

The Quantum Statistical Mechanical Theory of Transport Processes

A new derivation of the quantum Boltzmann transport equation for the Fermion system from the quantum time evolution equation for the wigner distribution function is presented. The method exhibits the origin of the time - irreversibility of the Boltzmann equation. In the present work, the spin dependent and indistinguishibility of particles are also considered.

Wavelet approximations of the Hamiltonian operator and computation of related energies

Multiresolution analysis in Quantum Chemistry provide e cient computational methods. In this article, we propose several representations of the Hamiltonian operator arising from the Density Functional Theory, based on orthogonal and interpolating scaling function bases. These high order approximations allows to compute the potential and kinetic energies with a linear complexity. Finally numeric...

اثر درهم‌تنیدگی و چهارچوب نالخت در بازی کوانتومی چهارکیوبیتی

The effect of increasing quantum bits and Unruh effect on quantum Prisoners’ dilemma has been investigated for both entangled and unentangled initial states. The Nash equilibrium, as an important result of quantum game theory, was obtained through the different payoffs resulted from choosing various strategies. It has been shown that the non-inertial frame disturbs the symmetry of the game. Act...

Quantitative Structure-Property Relationship to Predict Quantum Properties of Monocarboxylic Acids By using Topological Indices

Abstract. Topological indices are the numerical value associated with chemical constitution purporting for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. Graph theory is a delightful playground for the exploration of proof techniques in Discrete Mathematics and its results have applications in many areas of sciences. A graph is a ...

The theory of matrix-valued multiresolution analysis frames