Advances in Quantum Monte Carlo PDF
192 Pages·2007·13.687 MB·English
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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
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