Advances in quantum Monte Carlo /
| Other Authors: | , |
|---|---|
| Format: | eBook |
| Language: | English |
| Language Notes: | English. |
| Published: |
Washington, DC :
American Chemical Society : Distributed by Oxford University Press,
©2007.
|
| Series: | ACS symposium series ;
953. |
| Subjects: | |
| Online Access: | Connect to the full text of this electronic book |
Table of Contents:
- Quantum Monte Carlo Calculations for Helium Dimers and Trimers / Wilson, Matthew C., Department of Physics,Pennsylvania State University, University Park, PA 16802; Anderson, James B., Department of Chemistry,Pennsylvania State University, University Park, PA 16802
- Energies and Properties of the Hydrogen Molecular Ion / Alexander, S. A., Department of Physics, Southwestern University, Georgetown, TX 78626; Coldwell, R. L., Department of Physics, University of Florida, Gainesville, FL 32611
- Accuracy of a Random Walk-Based Approach in the Determination of Equilibrium Bond Lengths and Harmonic Frequencies for Some Doublet First-Row Diatomic Radicals / Lu, Shih-I
- Rydberg States with Quantum Monte Carlo / Bande, Annika; Lüchow, Arne
- Linear-Scaling Evaluation of the Local Energy in Quantum Monte Carlo / Austin, Brian, Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California at Berkeley, Berkeley, CA 94720-1460, Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720; Aspuru-Guzik, Alán, Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California at Berkeley, Berkeley, CA 94720-1460; Salomón-Ferrer, Romelia, Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California at Berkeley, Berkeley, CA 94720-1460, Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720; Lester, William A., Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California at Berkeley, Berkeley, CA 94720-1460, Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720
- Electronic Quantum Monte Carlo Calculations of Energies and Atomic Forces for Diatomic and Polyatomic Molecules / Lee, Myung Won, The Makineni Theoretical Laboratories, Department of Chemistry, University of Pennsylvania, Philadelphia, PA 19104-6323; Mella, Massimo, School of Chemistry, Cardiff University, P.O. Box 912, Cardiff CF10 3TB, United Kingdom; Rappe, Andrew M., The Makineni Theoretical Laboratories, Department of Chemistry, University of Pennsylvania, Philadelphia, PA 19104-6323
- The Fixed Hypernode Method for the Solution of the Many Body Schroedinger Equation / Pederiva, F., Dipartimento di Fisica, Universita di Trento, Povo, Trento, Italy; Kalos, M. H., Lawrence Livermore National Laboratory, Livermore, CA 94550; Reboredo, F., Lawrence Livermore National Laboratory, Livermore, CA 94550; Bressanini, D., Dipartimento di Scienze Chimiche e Ambientali, Università dell'Insubria, Como, Italy; Guclu, D., Cornell Theory Center, Cornell University, Ithaca, NY 14853; Colletti, L., Dipartimento di Fisica, Universita di Trento, Povo, Trento, Italy; Umrigar, C. J., Cornell Theory Center, Cornell University, Ithaca, NY 14853
- Recent Progress in Fermion Monte Carlo / Kalos, M. H., Lawrence Livermore National Laboratory, Livermore, CA 94550; Pederiva, F., Dipartimento di Fisica, Università di Trento, Povo, Trento, Italy
- Quantum Effects in Loosely Bound Complexes / Jordan, Meredith J. T., School of Chemistry, University of Sydney, Sydney, New South Wales 2006, Australia; Crittenden, Deborah L., School of Chemistry, University of Sydney, Sydney, New South Wales 2006, Australia, Current address: Research School of Chemistry, Australian National University, Canberra, ACT 0200, Australia; Thompson, Keiran C., School of Chemistry, University of Sydney, Sydney, New South Wales 2006, Australia
- Ab Initio Biomolecular Calculations Using Quantum Monte Carlo Combined with the Fragment Molecular Orbital Method / Maezono, Ryo, National Institute for Materials Science, Tsukuba 305-0047, Japan, PRESTO, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi City, Saitama 332-0012, Japan; Watanabe, Hirofumi, Graduate School of Science and Technology, Kobe University, Rokkodai, Nada, Kobe 657-8501, Japan, CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi City, Saitama 332-0012, Japan; Tanaka, Shigenori, Graduate School of Science and Technology, Kobe University, Rokkodai, Nada, Kobe 657-8501, Japan, CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi City, Saitama 332-0012, Japan
- Vibrational Excited States by Diffusion Monte Carlo / McCoy, Anne B.
- Rotations and Exchange in Doped Helium Clusters: Insight from Imaginary-Time Correlation Functions / Blinov, Nicholas; Roy, Pierre-Nicholas