Related papers: A derivative formula for the free energy function
We present an ab initio approach for evaluating a free energy profile along a reaction coordinate by combining logarithmic mean force dynamics (LogMFD) and first-principles molecular dynamics. The mean force, which is the derivative of the…
Let $p$ be a prime. We study the structure of and the inclusion relations among the terms in the monomial lattice in the modular symmetric power representations of $\mathrm{GL}_2(\mathbb{F}_p)$. We also determine the structure of certain…
Starting from the $\kappa$-distribution function, obtained by applying the maximal entropy principle to the $\kappa$-entropy [G. Kaniadakis, Phys. Rev. E 66 (2002), 056125], we derive the expression of the canonical $\kappa$-partition…
We investigate higher-order asymptotic symmetries for a $p$-form gauge field in $(p + 2)$-dimensional Minkowski spacetime, where Hodge duality with a scalar holds. Employing symplectic renormalization, we identify $N + 1$ independent…
Free energy calculations of two crystalline phases of the molecular compound S8 were performed via molecular dynamics simulations of these crystals. The elemental sulphur S8 molecule model used in our MD calculations consists of a…
The free energy is shown to decrease along Wilson renormalization group trajectories, in a dimension-independent fashion, for $d>2.$ The argument assumes the monotonicity of the cutoff function, and positivity of a spectral representation…
We prove a Parisi formula for the limiting free energy of multi-species spherical spin glasses with mixed $p$-spin interactions. The upper bound involves a Guerra-style interpolation and requires a convexity assumption on the model's…
The usual strategy for deducing the $\pi\mbox{--}\pi^\ast$ electronic energy (or optical bandgap) in a molecule with an "infinite" number of conjugated double bonds consists in fitting a function with some adjustable parameters to the…
Some magnetic phenomena in correlated electron systems were recently shown to be described in the continuum limit by a class of sigma models which present a U(1) Hopf fibration over CP(1). In this paper we study a generalization of such…
The two-loop self-energy correction to the Lamb shift of hydrogen-like ions is calculated for the $1s$, $2s$, and $2p_{1/2}$ states and nuclear charge numbers $Z = 30$-$100$. The calculation is performed to all orders in the nuclear binding…
An exact numerical study is undertaken into the finite $N$ calculation of the free energy and distribution functions for the two-dimensional one-component plasma. Both disk and sphere geometries are considered, with the coupling $\Gamma$…
This is a review on brane effective actions, their symmetries and some of its applications. Its first part uncovers the Green-Schwarz formulation of single M- and D-brane effective actions focusing on kinematical aspects : the…
An important step in a phospholipid membrane pore formation by melittin antimicrobial peptide is a reorientation of the peptide from a surface into a transmembrane conformation. In this work we perform umbrella sampling simulations to…
We present an exact solution of the $O(n)$ model on a random lattice. The coupling constant space of our model is parametrized in terms of a set of moment variables and the same type of universality with respect to the potential as observed…
We rigorously examine 2d-infinite square lattices composed of classical spins isotropically coupled between first-nearest neighbors. Each local exchange Hamiltonian is expanded on the basis of its eigenfunctions played by spherical…
Using explicit results for the four-point correlation functions of the Wess-Zumino-Novikov-Witten (WZNW) model we discuss the conformal embedding osp(4|4)_(1) = osp(2|2)_(-2) + su(2)_(0). This embedding has emerged in Bernard and LeClair's…
We present an approach to Morse theory on symmetric products of surfaces using the notion of folded ribbon trees. We introduce an $A_\infty$-category with objects defined as $\kappa$-tuples of Morse functions, where the differential of the…
Amplitudes for the reaction $\pi^-p\to \Lambda K^0$ are reconstructed from data on the differential cross section $d\sigma/d\Omega$, the recoil polarization $P$, and on the spin rotation parameter $\beta$. At low energies, no data on…
Using the recently proposed multicanonical ensemble, we perform Monte Carlo simulation for the 2d 7-state Potts model and calculate its surface free energy density (surface tension) to be $2 f^s = 0.0241 \pm 0.0010$. This is an order of…
The free energy of the Penner model is shown to be closely related to the integral over the two diagonalizing unitary matrices of a complex rectangular matrix.