<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
Advances in Quantum Monte Carlo
โ Scribed by James B. Anderson and Stuart M. Rothstein (Eds.)
- Publisher
- American Chemical Society
- Year
- 2007
- Tongue
- English
- Leaves
- 192
- Series
- ACS Symposium Series 953
- Category
- Library
No coin nor oath required. For personal study only.
โฆ Synopsis
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 Equilibrium Bond Lengths and Harmonic Frequencies for Some Doublet First-Row Diatomic Radicals - Shih-I Lu; 4. Rydberg States with Quantum Monte Carlo - Annika Bande and Arne Luchow; 5. Linear-Scaling Evaluation of the Local Energy in Quantum Monte Carlo - Brian Austin, Alan Aspuru-Guzik, Romelia Salmon-Ferrer, and William A. Lester, Jr; 6. Electronic Quantum Monte Carlo Calculations of Energies and Atomic Forces for Diatomic and Polyatomic Molecules - Myung Won Lee, Massimo Mella, and Andrew M. Rappe; 7. The Fixed Hypernode Method for the Solution of the Many Body Schroedinger Equation - F. Pederiva, M. H. Kalos, F. Reboredo, D. Bressanini, D. Guclu, L. Colletti, C. J. Umrigar; 8. Recent Progress in Fermion Monte Carlo - M. H. Kalos and F. Pederiva; 9. Quantum Effects in Loosely Bound Complexes - Meredith J. T. Jordan, Deborah L. Crittenden and Keiran C. Thompson; 10. Ab Initio Biomolecular Calculations Using Quantum Monte Carlo Combined with the Fragment Molecular Orbital Method - Ryo Maezona, Hirofumi Watanabe, and Shigenori Tanaka; 11. Vibrational Excited States by DMC - Anne B. McCoy; 12. Rotations and Exchange in Doped Helium Clusters: Insight from Imaginary-Time Correlation Functions - Nicholas Blinov and Pierre-Nicholas Roy
๐ SIMILAR VOLUMES
<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
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