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This page contains links to documents authored by project members, to software programs and components developed by the project, and to other tools we've found useful and collected here for your convenience.

Each entry has a title, a summary, a list of authors, a date of publication or when it was last updated, and links to the material in various formats. Each entry also has its bookmark noted, to help authors making links to it from other web pages.

Documents

Local Energy Calculation of the Slater-Jastrow wave function

Explicit calculation of the local energy of the trial wave function.

Author:       Esler, Kenneth P. and Nichols A. Romero
Date:         December 16, 1999
Formats:      .pdf (99 k)
Bookmark:     UIUC Physics 398B - Atomic-Scale Simulations
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Software

Zero-Temperature Path Integral Monte Carlo

Runs an energy calculation on a  4 electron molecule using PIMC within the pair density matrix approximation. 

Author:       Esler, Kenneth P. and Nichols A. Romero
Date:         December 16, 1999
Formats:      .tar.gz (628 k)
Bookmark:     UIUC Physics 398B - Atomic-Scale Simulations
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Tools

Density Matrix Library

Computation of the two body density matrix. Consists of three programs: POTGEN, SQUARER, and FKPIMC. Squarer computes the two body density matrix at a specified temperature. POTGEN computes the input potential. FKPIMC evaluates the pair density matrix by Feynman-Kacs.

Author:       David M. Ceperley
Date:         February 24, 1998
Formats:      .tar.Z (144 K)
Bookmark:     National Center for Supercomputing Applications

Scalable Parallel Random Number Generator

Computation of the two body density matrix. Consists of three programs: POTGEN, SQUARER, and FKPIMC. Squarer computes the two body density matrix at a specified temperature. POTGEN computes

Author:       Ashok Srinivasan
Date:         February 24, 1998
Formats:      .tar.Z (1.8 MB)
Bookmark:     National Center for Supercomputing Applications

Template Numerical Toolkit

A numerical library for scientific computing in C++.

Author:       Roldan Pozo
Date:         February 24, 1998
Formats:      .zip (32 K)
Bookmark:     National Institute of Standards and Technology
 
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Document Format Definitions

.ps     PostScript
.pdf    Portable Document Format
.zip    archive file for Windows
.tar	archive file for Unix
.Z/.gz  compressed file for UNIX
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For problems or questions regarding this web contact nromero@uiuc.edu.
Last updated: December 17, 1999.