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In this work, we consider the particle-hole random phase approximation (phRPA), an approximation to the correlation energy in electronic structure, and show that the phRPA energy of the H2 molecule correctly dissociates. That is, as the…
We consider the generalization of the Kramers escape over a barrier problem to the case of a long chain molecule. The problem involves the motion of a chain molecule of $N$ segments across a region where the free energy per segment is…
The freely jointed chain is often applied to model the thermodynamics of single polymer chains, but the traditional formulation of the model lacks internal energy changes due to bond stretching. For this reason, the extensible freely…
A new single-time two-point closure is proposed, in which the equation for the two-point correlation between the displacement of a fluid particle and the velocity allows one to estimate a Lagrangian timescale. This timescale is used to…
Recent experimental results: (i) the measurement of the $T \ln T$ specific heat in cuprates and the earlier such results in some heavy fermion compounds, (ii) the measurement of the single-particle scattering rates, (iii) the density…
An approximate method for studying activation over a fluctuating barrier of potential is proposed. It involves considering separately the slow and fast components of barrier fluctuations, and it applies for any value of their correlation…
A fluctuation law of the energy in freely-decaying, homogeneous and isotropic turbulence is derived within standard closure hypotheses for 3D incompressible flow. In particular, a fluctuation-dissipation relation is derived which relates…
The constraints on a general form of the power-law potential and the dissipation coefficient in the framework of warm single field inflation imposed by Planck data will be investigated. {By Considering a quasi-static Universe, besides a…
The energy-based stochastic extension of the Schrodinger equation is perhaps the simplest mathematically rigourous and physically plausible model for the reduction of the wave function. In this article we apply a new simulation methodology…
We study the exit-time from a domain of a self-interacting diffusion, where the Brownian motion is replaced by $\sigma B_t$ for a constant $\sigma$. The first part of this work consists in showing that the rate of convergence (of the…
We study the exit-time of a self-interacting diffusion from an open domain $G \subset \mathbb{R}^d$. In particular, we consider the equation $d{X_t} = - \left( \nabla V(X_t) + \frac{1}{t}\int_0^t\nabla F (X_t - X_s)d{s} \right) d{t} +…
Semi-analytical expressions are suggested for the temperature dependence of those combinations of transport coefficients which govern the fission process. This is based on experience with numerical calculations within the linear response…
Understanding how systems respond to external perturbations is a fundamental challenge in physics, particularly for non-equilibrium and non-stationary processes. The fluctuation-dissipation theorem provides a complete framework for…
We study Derrida's generalized random energy model in the presence of uniform external field. We compute the fluctuations of the ground state and of the partition function in the thermodynamic limit for all admissible values of parameters.…
In the standard framework of thermodynamics the work produced or consumed in a process is a random variable whose average value is bounded by the change in the free energy of the system. This work is calculated without regard for the size…
An ab initio approach formulated under an entropy-inspired repartitioning of the electronic Hamiltonian is presented. This ansatz produces orbital eigenvalues each shifted by entropic contributions expressed as subsets of scaled pair…
We study the transition probabilities of a two-point measurement on a quantum system, initially prepared in a thermal state. We find two independent constraints on the difference between transition probabilities when the system is prepared…
Vacuum polarization (or Casimir) energies can be straightforwardly computed from scattering data for static field configurations whose interactions with the fluctuating field are frequency independent. In effective theories, however,such…
Diffusion in a multidimensional energy surface with minima and barriers is a problem of importance in statistical mechanics and also has wide applications, such as protein folding. To understand it in such a system, we carry out theory and…
The description of threshold fragmentation under long range repulsive forces is presented. The dominant energy dependence near threshold is isolated by decomposing the cross section into a product of a back ground part and a barrier…