Advances in quantum Monte Carlo /
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| Other Authors: | , , |
| Format: | eBook |
| Language: | English |
| Language Notes: | English. |
| Published: |
Washington, DC :
American Chemical Society,
©2012.
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| Series: | ACS symposium series ;
1094. |
| Subjects: | |
| Online Access: | Connect to the full text of this electronic book |
Table of Contents:
- Correlated Sampling for Energy Differences in Diffusion Quantum Monte Carlo / Anderson, James B.
- Population Control Bias with Applications to Parallel Diffusion Monte Carlo / Krogel, Jaron T., Department of Physics, University of Illinois, Urbana-Champaign, Urbana, Illinois 61801, National Center for Supercomputing Applications (NCSA), University of Illinois, Urbana-Champaign, Urbana, Illinois 61801; Ceperley, David M., Department of Physics, University of Illinois, Urbana-Champaign, Urbana, Illinois 61801, National Center for Supercomputing Applications (NCSA), University of Illinois, Urbana-Champaign, Urbana, Illinois 61801
- Enhancement of Sampling Efficiency in ab Initio Monte Carlo Simulations Using an Auxiliary Potential Energy Surface / Nakayama, Akira; Taketsugu, Tetsuya
- Recent Results in the Exact Treatment of Fermions at Zero and Finite Temperature / Tubman, Norm M., Lawrence Livermore National Laboratory, Livermore, CA 94550, Department of Physics, University of Illinois, Urbana-Champaign, Champaign, Illinois 61820; DuBois, Jonathan L., Lawrence Livermore National Laboratory, Livermore, CA 94550; Alder, Berni J., Lawrence Livermore National Laboratory, Livermore, CA 94550
- Quantum Monte Carlo Facing the Hartree-Fock Symmetry Dilemma: The Case of Hydrogen Rings / Reinhardt, Peter, Laboratoire de Chimie Théorique, Université Pierre et Marie Curie and CNRS, 4 place Jussieu, 75252 Paris, France; Toulouse, Julien, Laboratoire de Chimie Théorique, Université Pierre et Marie Curie and CNRS, 4 place Jussieu, 75252 Paris, France; Assaraf, Roland, Laboratoire de Chimie Théorique, Université Pierre et Marie Curie and CNRS, 4 place Jussieu, 75252 Paris, France; Umrigar, C. J., Laboratory of Atomic and Solid State Physics, Cornell University, Ithaca, New York 14853, U.S.A.; Hoggan, Philip E., LASMEA, Université Blaise Pascal and CNRS, 24 avenue des Landais, 63177 Aubière, France
- Single Electron Densities from Quantum Monte Carlo Simulations / Lüchow, Arne; Petz, René
- Many-Body Nodal Hypersurface and Domain Averages for Correlated Wave Functions / Hu, Shuming; Rasch, Kevin; Mitas, Lubos
- A Quantum Monte Carlo Study of the Ground State Chromium Dimer / Hongo, Kenta, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa 923-1282, Japan, The Institute of Statistical Mathematics, 10-3 Midori-cho, Tachikawa, Tokyo 190-8562, Japan; Maezono, Ryo, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa 923-1282, Japan
- A Benchmark Quantum Monte Carlo Study of Molecular Crystal Polymorphism: A Challenging Case for Density-Functional Theory / Watson, Mark A., Department of Chemistry and Chemical Biology, Harvard University, 12 Oxford Street, Cambridge, Massachusetts 02138, U.S.A.; Hongo, Kenta, Department of Chemistry and Chemical Biology, Harvard University, 12 Oxford Street, Cambridge, Massachusetts 02138, U.S.A., The Institute of Statistical Mathematics, 10-3 Midori-cho, Tachikawa, Tokyo 190-8562, Japan; Iitaka, Toshiaki, Computational Astrophysics Laboratory, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198, Japan; Aspuru-Guzik, Alán, Department of Chemistry and Chemical Biology, Harvard University, 12 Oxford Street, Cambridge, Massachusetts 02138, U.S.A.
- Quantum Monte Carlo in Presence of Spin-Orbit Interaction / Ambrosetti, A., Dipartimento di Fisica, University of Padova, via Marzolo 8, I-35131, Padova, Italy; Pederiva, F., Dipartimento di Fisica and INFN
- Gruppo collegato di Trento, University of Trento, via Sommarive 14, I-38123 Trento, Italy; Lipparini, E., Dipartimento di Fisica and INFN
- Gruppo collegato di Trento, University of Trento, via Sommarive 14, I-38123 Trento, Italy; Mitas, L., Department of Physics, North Carolina State University, Raleigh, North Carolina 27695, U.S.A.
- High-Energy Electron Scattering from Selected Diatomics Using Monte Carlo Methods / Alexander, S. A., Department of Physics, Southwestern University, Georgetown, Texas 78626; Datta, Sumita, Department of Theoretical Physics, Indian Association for the Cultivation of Science, 2A and 2B Raja S. C. Mullick Road, Jadavpur, Kolkata 700 032, India; Coldwell, R. L., Department of Physics, University of Florida, Gainesville, Florida 32611
- Studying Properties of Floppy Molecules Using Diffusion Monte Carlo / McCoy, Anne B.; Hinkle, Charlotte E.; Petit, Andrew S.
- Quantum Monte Carlo Study of the Binding of a Positron to Polar Molecules / Kita, Yukiumi; Tachikawa, Masanori
- Molecular Dynamics and Hybrid Monte Carlo Algorithms for the Variational Path Integral with a Fourth-Order Propagator / Miura, Shinichi
- Ab Initio Path Integral Molecular Dynamics and Monte Carlo Simulations for Water Trimer and Oligopeptide / Fujita, Takatoshi, Graduate School of System Informatics, Kobe University, 1-1 Rokkodai, Nada, Kobe 657-8501, Japan; Kusa, Masa-Aki, Department of Chemistry and Research Center for Smart Molecules, Faculty of Science, Rikkyo University, 3-34-1 Nishi-ikebukuro, Toshima-ku, Tokyo 171-8501, Japan; Fujiwara, Takayuki, Department of Chemistry and Research Center for Smart Molecules, Faculty of Science, Rikkyo University, 3-34-1 Nishi-ikebukuro, Toshima-ku, Tokyo 171-8501, Japan; Mochizuki, Yuji, Department of Chemistry and Research Center for Smart Molecules, Faculty of Science, Rikkyo University, 3-34-1 Nishi-ikebukuro, Toshima-ku, Tokyo 171-8501, Japan, Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505 Japan; Tanaka, Shigenori, Graduate School of System Informatics, Kobe University, 1-1 Rokkodai, Nada, Kobe 657-8501, Japan
- Beyond a Single Solvated Electron: Hybrid Quantum Monte Carlo and Molecular Mechanics Approach / Zubarev, D. Yu., Kenneth S. Pitzer Center for Theoretical Chemistry, University of California, Berkeley, California 94720; Lester, W. A., Kenneth S. Pitzer Center for Theoretical Chemistry, University of California, Berkeley, California 94720, Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720
- Quantum Monte Carlo and Zdenek Herman's Enchanted Psiland / Anderson, James B.
- Editors' Biographies