✦ LIBER ✦

Quantum-Monte-Carlo simulations on linear chains

✍ Scribed by Stefan N. Kreitmeier; Donald W. Noid; Bobby G. Sumpter

Publisher: John Wiley and Sons
Year: 1996
Tongue: English
Weight: 687 KB
Volume: 5
Category: Article
ISSN: 1022-1344
DOI: 10.1002/mats.1996.040050301

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

The diffusion Quantum‐Monte‐Carlo method is applied to a set of coupled oscillators as a first approach to a polyethylene chain. The obtained energy eigenvalues are in good agreement with normal mode analysis. For chains shorter than 50 atoms a distinction between center oscillators and end oscillators is possible. For longer chains non‐negligible deviations are discussed.

📜 SIMILAR VOLUMES

Random number generators tested on quant

Random number generators tested on quantum Monte Carlo simulations

✍ Kenta Hongo; Ryo Maezono; Kenichi Miura 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 254 KB

## Abstract We have tested and compared several (pseudo) random number generators (RNGs) applied to a practical application, ground state energy calculations of molecules using variational and diffusion Monte Carlo metheds. A new multiple recursive generator with 8th‐order recursion (MRG8) and the

Adsorption of Semiflexible Chains on Nan

Adsorption of Semiflexible Chains on Nanostriped Surfaces: Monte Carlo Simulations

✍ Abdullah AlSunaidi 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 217 KB

## Abstract Monte Carlo simulations were carried out to investigate the adsorption of semiflexible chains from a semidilute solution to substrates with periodic stripes of width __w__. The chains are made of fused __N__ = 10 monomers of diameter __σ__ interacting with each other through excluded vo

Monte Carlo simulations of grafted chain

Monte Carlo simulations of grafted chains at interfaces

✍ Jennifer J. Sahlin; Nikolaos A. Peppas 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 144 KB 👁 2 views

Simulations were carried out of the polymer-polymer chain interpenetration, diffusion, and adhesion of crosslinked polymers with dangling chain ends. Concentration profiles were determined for various polymer chain lengths and densities. The penetration depth was less than the radius of gyration of

Linear filtering algorithms for Monte Ca

Linear filtering algorithms for Monte Carlo simulations

✍ S. Amir-Azizi; G.J. Daniell 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 825 KB

Variable quadratic propagator for quantu

Variable quadratic propagator for quantum Monte Carlo simulations

✍ Peisen Zhang; Ronald M. Levy; Richard A. Friesner 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 544 KB

Fast algorithm for one-dimensional quant

Fast algorithm for one-dimensional quantum Monte Carlo simulations

✍ Mihail Marcu; Jürgen Müller; Franz-Karl Schmatzer 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 654 KB

A fast algorithm for simulating one-dimensional quantum spin systems on CRAY 1 computers is presented. Various versions of the algorithm suitable for general spin xxz and xyz models with and without magnetic field are discussed.