Advances in Quantum Monte Carlo

Shigenori Tanaka is a professor at Tanaka University. Stuart M. Rothstein is a professor at Brock University. William Lester is a professor at the University of California, Berkeley.

• 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. Ceperley ; 3. Enhancement of Sampling Efficiency in ab Initio Monte Carlo Simulations Using an Auxiliary Potential Energy Surface ; Akira Nakayama and Tetsuya Taketsugu ; 4. Recent Results in the Exact Treatment of Fermions at Zero and Finite Temperature ; Norm M. Tubman, Jonathan L. DuBois, and Berni J. Alder ; II. Exchange Nodes and Simulated Electron Distribution ; 5. Quantum Monte Carlo Facing the Hartree-Fock Symmetry Dilemma: The Case of Hydrogen Rings ; Peter Reinhardt, Julien Toulouse, Roland Assaraf, C. J. Umrigar, and Philip E. Hoggan ; 6. Single Electron Densities from Quantum Monte Carlo Simulations ; Arne Luchow and Rene Petz ; 7. Many-Body Nodal Hypersurface and Domain Averages for Correlated Wave Functions ; Shuming Hu, Kevin Rasch, and Lubos Mitas ; III. Large and Experimentally Challenging Systems ; 8. A Quantum Monte Carlo Study of the Ground State Chromium Dimer ; Kenta Hongo and Ryo Maezono ; 9. A Benchmark Quantum Monte Carlo Study of Molecular Crystal Polymorphism: A Challenging Case for Density-Functional Theory ; Mark A. Watson, Kenta Hongo, Toshiaki Iitaka, and Alan Aspuru-Guzik ; 10. Quantum Monte Carlo in Presence of Spin-Orbit Interaction ; A. Ambrosetti, F. Pederiva, E. Lipparini, and L. Mitas ; 11. High-Energy Electron Scattering from Selected Diatomics Using Monte Carlo Methods ; S. A. Alexander, Sumita Datta, and R. L. Coldwell ; 12. Studying Properties of Floppy Molecules Using Diffusion Monte Carlo ; Anne B. McCoy, Charlotte E. Hinkle, and Andrew S. Petit ; 13. Quantum Monte Carlo Study of the Binding of a Positron to Polar Molecules ; Yukiumi Kita and Masanori Tachikawa ; IV. Hybrid Molecular Mechanics/Dynamics and Monte Carlo Algorithms ; 14. Molecular Dynamics and Hybrid Monte Carlo Algorithms for the Variational Path Integral with a Fourth-Order Propagator ; Shinichi Miura ; 15. Ab Initio Path Integral Molecular Dynamics and Monte Carlo Simulations for Water Trimer and Oligopeptide ; Takatoshi Fujita, Masa-Aki Kusa, Takayuki Fujiwara, Yuji Mochizuki, and ; Shigenori Tanaka ; 16. Beyond a Single Solvated Electron: Hybrid Quantum Monte Carlo and Molecular Mechanics Approach ; D. Yu. Zubarev and W. A. Lester, Jr. ; V. Past and Future of Quantum Monte Carlo ; 17. Quantum Monte Carlo and Zdenek Herman's Enchanted Psiland ; James B. Anderson ; Editors' Biographies ; Indexes ; Author Index ; Subject Index