Perturbation theory for the one-dimensional optical polaron

The one-dimensional optical polaron is treated on the basis of the perturbation theory in the weak coupling limit. A special matrix diagrammatic technique is developed. It is shown how to evaluate all terms of the perturbation theory for the ground-state energy of a polaron to any order by means of this technique. The ground-state energy is calculated up to the eighth order of the perturbation theory. The effective mass of an electron is obtained up to the sixth order of the perturbation theory. The radius of convergence of the obtained series is estimated. The obtained results are compared with the results from the Feynman polaron theory.Comment: 9 pages, 2 figures, RevTeX, to be published in Phys. Rev. B (2001) Ap

Structure of Dipalmitoylphosphatidylcholine/Cholesterol Bilayer at Low and High Cholesterol Concentrations: Molecular Dynamics Simulation

By using molecular dynamics simulation technique we studied the changes occurring in membranes constructed of dipalmitoylphosphatidylcholine (DPPC) and cholesterol at 8:1 and 1:1 ratios. We tested two different initial arrangements of cholesterol molecules for a 1:1 ratio. The main difference between two initial structures is the average number of nearest-neighbor DPPC molecules around the cholesterol molecule. Our simulations were performed at constant temperature (T = 50 degrees C) and pressure (P = 0 atm). Durations of the runs were 2 ns. The structure of the DPPC/cholesterol membrane was characterized by calculating the order parameter profiles for the hydrocarbon chains, atom distributions, average number of gauche defects, and membrane dipole potentials. We found that adding cholesterol to membranes results in a condensing effect: the average area of membrane becomes smaller, hydrocarbon chains of DPPC have higher order, and the probability of gauche defects in DPPC tails is lower. Our results are in agreement with the data available from experiments

Analyticity of The Ground State Energy For Massless Nelson Models

We show that the ground state energy of the translationally invariant Nelson model, describing a particle coupled to a relativistic field of massless bosons, is an analytic function of the coupling constant and the total momentum. We derive an explicit expression for the ground state energy which is used to determine the effective mass.Comment: 33 pages, 1 figure, added a section on the calculation of the effective mas

Variational Interpolation Algorithm between Weak- and Strong-Coupling Expansions

For many physical quantities, theory supplies weak- and strong-coupling expansions of the types $\sum a_n \alpha ^n$ and \alpha ^p\sum b_n (\alpha^{-2/q) ^n, respectively. Either or both of these may have a zero radius of convergence. We present a simple interpolation algorithm which rapidly converges for an increasing number of known expansion coefficients. The accuracy is illustrated by calculating the ground state energies of the anharmonic oscillator using only the leading large-order coefficient $b_0$ (apart from the trivial expansion coefficent $a_0=1/2$). The errors are less than 0.5 for all g. The algorithm is applied to find energy and mass of the Fr\"ohlich-Feynman polaron. Our mass is quite different from Feynman's variational approach.Comment: PostScript, http://www.physik.fu-berlin.de/kleinert.htm

Impact of Cholesterol on Voids in Phospholipid Membranes

Free volume pockets or voids are important to many biological processes in cell membranes. Free volume fluctuations are a prerequisite for diffusion of lipids and other macromolecules in lipid bilayers. Permeation of small solutes across a membrane, as well as diffusion of solutes in the membrane interior are further examples of phenomena where voids and their properties play a central role. Cholesterol has been suggested to change the structure and function of membranes by altering their free volume properties. We study the effect of cholesterol on the properties of voids in dipalmitoylphosphatidylcholine (DPPC) bilayers by means of atomistic molecular dynamics simulations. We find that an increasing cholesterol concentration reduces the total amount of free volume in a bilayer. The effect of cholesterol on individual voids is most prominent in the region where the steroid ring structures of cholesterol molecules are located. Here a growing cholesterol content reduces the number of voids, completely removing voids of the size of a cholesterol molecule. The voids also become more elongated. The broad orientational distribution of voids observed in pure DPPC is, with a 30% molar concentration of cholesterol, replaced by a distribution where orientation along the bilayer normal is favored. Our results suggest that instead of being uniformly distributed to the whole bilayer, these effects are localized to the close vicinity of cholesterol molecules

Coarse-Grained Models of Biological Membranes within the Single Chain Mean Field Theory

The Single Chain Mean Field theory is used to simulate the equilibrium structure of phospholipid membranes at the molecular level. Three levels of coarse-graining of DMPC phospholipid surfactants are present: the detailed 44-beads double tails model, the 10-beads double tails model and the minimal 3-beads model. We show that all three models are able to reproduce the essential equilibrium properties of the phospholipid bilayer, while the simplest 3-beads model is the fastest model which can describe adequately the thickness of the layer, the area per lipid and the rigidity of the membrane. The accuracy of the method in description of equilibrium structures of membranes compete with Monte Carlo simulations while the speed of computation and the mean field nature of the approach allows for straightforward applications to systems with great complexity.Comment: Accepted for publication in Soft Matte

Binding of Polarons and Atoms at Threshold

If the polaron coupling constant $\alpha$ is large enough, bipolarons or multi-polarons will form. When passing through the critical $\alpha_c$ from above, does the radius of the system simply get arbitrarily large or does it reach a maximum and then explodes? We prove that it is always the latter. We also prove the analogous statement for the Pekar-Tomasevich (PT) approximation to the energy, in which case there is a solution to the PT equation at $\alpha_c$. Similarly, we show that the same phenomenon occurs for atoms, e.g., helium, at the critical value of the nuclear charge. Our proofs rely only on energy estimates, not on a detailed analysis of the Schr\"odinger equation, and are very general. They use the fact that the Coulomb repulsion decays like $1/r$, while `uncertainty principle' localization energies decay more rapidly, as $1/r^2$.Comment: 19 page