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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.
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
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
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
.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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