The quantum Monte Carlo (QMC) method is gaining interest as a complement to basis set ab initio methods in cases where high accuracy computation of atomic and molecular properties is desired. This volume focuses on recent advances in this area. QMC as used here refers to methods that directly solve
Recent Advances In Quantum Monte Carlo Methods - Part Ii
โ Scribed by William A Lester; Stuart M Rothstein; Shige Tanaka; Malvin H. Kalos; William A. Lester Jr
- Publisher
- World Scientific Publishing Company
- Year
- 2002
- Tongue
- English
- Leaves
- 329
- Series
- Recent Advances In Computational Chemistry
- Category
- Library
No coin nor oath required. For personal study only.
โฆ Synopsis
This invaluable book consists of 16 chapters written by some of the most notable researchers in the field of quantum Monte Carlo, highlighting the advances made since Lester Jr.'s 1997 monograph with the same title. It may be regarded as the proceedings of the Symposium on Advances in Quantum Monte Carlo Methods held during the Pacifichem meeting in December 2000, but the contributions go beyond what was presented there.
โฆ Subjects
Monte Carlo method. ; Quantum chemistry.
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<em>Advances in Quantum Monte Carlo</em> confronts the challenges in quantum mechanics that have become progressively more prevalent in the last five years. This book will cover the needed advances in Quantum Monte Carlo methods including improvements and a complete range of applications. <em>Advanc
<br> Content: 1. Quantum Monte Carlo Calculations for Helium Dimers and Trimers - Matthew C. Wilson and James B. Anderson; 2. Energies and Properties of the Hydrogen Molecular Ion - S. A. Alexander and R. L. Coldwell; 3. Accuracy of a Random Walk Based Approach in the Determination of Equilibri
<br> Content: PREFACE ; I. ACCURACY AND PRECISION OF QUANTUM MONTE CARLO CALCULATIONS ; 1. CORRELATED SAMPLING FOR ENERGY DIFFERENCES IN DIFFUSION QUANTUM MONTE CARLO ; JAMES B. ANDERSON ; 2. POPULATION CONTROL BIAS WITH APPLICATIONS TO PARALLEL DIFFUSION MONTE CARLO ; JARON T. KROGEL AND DAVID M. C
<p>Monte Carlo methods have been a tool of theoretical and computational scientists for many years. In particular, the invention and percolation of the algorithm of Metropolis, Rosenbluth, Rosenbluth, Teller, and Teller sparked a rapid growth of applications to classical statistical mechanics. Altho