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Random phase approximation ground state contains electronic configurations where two (and more) identical electrons can occupy the same molecular spin-orbital violating the Pauli exclusion principle. This overcounting of electronic…
In this perspective we consider how modern statistical mechanics and response theory can be applied to understand the response of polar molecules to an applied electric field and the fluctuations in these systems. Results that are…
The distribution of the electric microfield at a charged particle moving in a two-component plasma is calculated. The theoretical approximations are obtained via the parameter integration technique and using the screened pair approximation…
Accurate calculations of the nucleation rate $\Gamma$ for first order phase transitions are important for determining their observable consequences in particle physics and cosmology. Perturbative calculations are often used, but they are…
We calculate bubble-nucleation rates for (2+1)-dimensional scalar theories at high temperature. Our approach is based on the notion of a real coarse-grained potential. The region of applicability of our method is determined through internal…
The well-known formal analogy between time and absolute temperature, existing on the quantum level, is considered as a profound duality relationship requiring some modifications in the conventional quantum dynamics. They consist of tiny…
As known, any numerical simulation is composed of two parts: (1) the initial part of writing the relevant code and (2) the running of this code on the computer screen. The second part of running the program is extensively discussed…
We theoretically investigate the correlation functions of the phase of a light wave propagating through a turbulent medium. We use an equation for the logarithm of a wave packet envelope, which includes a second-order nonlinear term. Based…
A physically motivated equation that determines the number of electrons of a molecule is proposed based on chemical common sense. It shows that all molecules are entangled in the number of electrons and results in the fundamental assumption…
The local electron temperature distribution is calculated considering a two dimensional electron system in the integer quantum Hall regime in presence of disorder and uniform perpendicular magnetic fields. We solve thermal-hydrodynamical…
For the lithium dimer we calculate cross sections for absorption of radiation from the vibrational-rotational levels of the ground X [singlet Sigma g +] electronic state to the vibrational levels and continua of the excited A [singlet Sigma…
We provide a systematic formula, in terms of integer partitions, that generates perturbation theory explicitly at an arbitrary order. Our approach naturally includes an infinite number of perturbations and uses a single matrix equation that…
A possible approach to the statistical description of granular assemblies starts from Edwards' assumption that all blocked states occupying the same volume are equally probable (S.F. Edwards, R. Oakeshott, Physica A 157, 1080 (1989)). We…
We calculate the first order maximal acceleration corrections to the classical electrodynamics of a particle in external electromagnetic fields. These include additional dissipation terms, the presence of a critical electric field, a…
An approximation method which combines the perturbation theory with the variational calculation is constructed for quantum mechanical problems. Using the anharmonic oscillator and the He atom as examples, we show that the present method…
Many-body perturbation theory within the G$_0$W$_0$ approximation is used to determine molecular orbital level alignment at a liquid water/Pt(111) interface generated through $ab~ initio$ molecular dynamics. Molecular orbital energy levels…
An alternative model to describe the electronic and thermal properties of quantum dot based on triangle geometry is proposed. The model predicts characteristics and limitations of the system by controlling the magnetic field and…
Simulation schemes that allow to change molecular representation in a subvolume of the simulation box while preserving the equilibrium with the surrounding introduce conceptual problems of thermodynamic consistency. In this work we present…
As is well known, the existed perturbation theory can be applied to calculations of energy, state and transition probability in many quantum systems. However, there are different paths and methods to improve its calculation precision and…
Electronic coherences can be leveraged to control molecular dynamics, but such control is limited by ultrafast decoherence driven by coupling between electronic excitations and molecular vibrations. With the goal of understanding and…