Advances in Quantum Monte Carlo
Language: English
Published by AMER CHEMICAL SOC, 2013
- Hardcover
- New
Condition: New
£ 197.47
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Contains contributions from the Advances in Quantum Monte Carlo symposium, dedicated to celebrate the career of James B. Anderson, a notable researcher in the field.Über den AutorrnrnShigenori Tanaka is a professor at Tanaka University.
Seller Inventory # 595088864
- Title
- Advances in Quantum Monte Carlo
- Author
- Tanaka
- Publisher
- AMER CHEMICAL SOC
- Publication year
- 2013
- Condition
- New
- Binding
- Gebunden
- Language
- English
- ISBN 10
- 0841227500
- ISBN 13
- 9780841227507
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.
"Synopsis" may belong to another edition of this title.
About the Author
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.
"About the title" may belong to another edition of this title.
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