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Advances in Quantum Monte Carlo (Hardcover): Shigenori Tanaka, Stuart M. Rothstein, William A. Lester Advances in Quantum Monte Carlo (Hardcover)
Shigenori Tanaka, Stuart M. Rothstein, William A. Lester
R5,411 Discovery Miles 54 110 Ships in 12 - 17 working days

The chapters in this monograph are contributions from the Advances in Quantum Monte Carlo symposium held at Pacifichem 2010, International Chemical Congress of Pacific Basin Societies. The symposium was dedicated to celebrate the career of James B. Anderson, a notable researcher in the field. Quantum Monte Carlo provides an ab initio solution to the Schroedinger equation by performing a random walk through configuration space in imaginary time. Benchmark calculations suggest that its most commonly-used variant, "fixed-node" diffusion Monte Carlo, estimates energies with an accuracy comparable to that of high-level coupled-cluster calculations. These two methods, each having advantages and disadvantages, are complementary "gold-standards" of quantum chemistry. There are challenges facing researchers in the field, several of which are addressed in the chapters in this monograph. These include improving the accuracy and precision of quantum Monte Carlo calculations; understanding the exchange nodes and utilizing the simulated electron distribution; extending the method to large and/or experimentally-challenging systems; and developing hybrid molecular mechanics/dynamics and Monte Carlo algorithms.

Advances in Quantum Monte Carlo (Hardcover, New): James B Anderson, Stuart M. Rothstein Advances in Quantum Monte Carlo (Hardcover, New)
James B Anderson, Stuart M. Rothstein
R2,653 Discovery Miles 26 530 Ships in 12 - 17 working days

Advances in Quantum Monte Carlo 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. Advances in Quantum Monte Carlo will also include a complete spectrum of applications.

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