A general method is given to solve tight frame optimization problems, borrowing notions from classical mechanics. In this paper, we focus on a quantum detection problem, where the goal is to construct a tight frame that minimize an error term, which in quantum physics has the interpretation of the probability of a detection error. The method converts the frame problem into a set of ordinary dif...

The combination of Quantum Mechanics (QM) and Molecular Mechanics (MM) methods hasbecome alternative tool for many applications that pure QM and MM could not be suitable.The QM/MM method has been used for different type of problems, for example: structuralbiology, surface phenomena, and liquid phase. In this paper we have performed these methods forsome antibiotics and vitamins and then we comp...

This is the first graduate course on elementary quantum mechanics in Internet written for the benefit of undergraduate and graduate students. It is a translation (with corrections) of the Romanian version of the course, which I did at the suggestion of several students from different countries. The topics included refer to the postulates of quantum mechanics, one-dimensional barriers and wells,...

The Variational Method is applied within the context of Supersymmetric Quantum Mechanics to provide information about the energy states of a hydrogenic donor in a quantum dot.

The method of positive commutators, developed for zero temperature problems over the last twenty years, has been powering progress in the spectral analysis of Hamiltonians in quantum mechanics. We extend this method to positive temperatures, i.e. to non-equilibrium quantum statistical mechanics. We use the positive commutator technique to give an alternative proof of a fundamental property of l...

This paper proposes a new mixed quantum mechanics (QM)-molecular mechanics (MM) approach, where MM is replaced by quantum Hamilton mechanics (QHM), which inherits the modeling capability of MM, while preserving the state-dependent nature of QM. QHM, a single mechanics playing the roles of QM and MM simultaneously, will be employed here to derive the three-dimensional quantum dynamics of diatomi...

The method of positive commutators, developed for zero temperature problems over the last twenty years, has been an essential tool in the spectral analysis of Hamiltonians in quantum mechanics. We extend this method to positive temperatures, i.e. to non-equilibrium quantum statistical mechanics. We use the positive commutator technique to give an alternative proof of a fundamental property of a...

The ability of the present semiempirical quantum mechanics methods are surveyed for reproducing the transannular interaction in the bifunctional N-phenyl-5-azocanones. The AM1 method is the best with the order of reliability being Am1, PM3, MNDO and MINDO/3. AM1 calculations were then carried out for quantification of transannular interaction. The n(o) ionization potential has be...