Created 15 May 2000 at 21:22 UTC by Aspuru.

Homepage: http://www.cchem.berkeley.edu/~walgrp/**Notes:**

QuantuMagiC is a FORTRAN program based upon the quantum Monte Carlo (QMC) method for solving the electronic, non-relativistic, clamped-nuclei SchrÃ¶dinger equation. The current version performs variational Monte Carlo (VMC) and fixed-node diffusion Monte Carlo (DMC) computations of the energy and other properties of atoms and molecules. Version 7.7 can perform both all-electron and effective-core potential calculations. Before using this program I suggest you read as many of the following as possible: 1. P. J. Reynolds, D. M. Ceperley, B. J. Alder, and W. A. Lester, Jr., ``Diffusion Monte Carlo for Atoms and Molecules,'' J. Chem. Phys. 77, 5593-5603 (1982). 2. W. A. Lester, Jr. and B. L. Hammond, ``Fixed Node Quantum Monte Carlo for Molecules,'' Annu. Rev. Phys. Chem. 41, 283-311 (1990). 3. B. H. Wells, ``Green's function Monte Carlo,'' in Methods in Computational Chemistry 1, 311-50 (1987). 4. M. H. Kalos and P. A. Whitlock, Monte Carlo Methods, Vol. 1: Basics. Wiley. 5. B. L. Hammond, W. A. Lester, Jr., P. J. Reynolds, Monte Carlo Methods in ab initio Electronic Structure Theory. World Scientific Press, 1994 (ISBN 981-02-0322-5).

License: Modified BSD / Elsevier-Like

This project has the following developers:

- Aspuru is a Developer.

**New HTML Parser**: The long-awaited libxml2 based HTML parser
code is live. It needs further work but already handles most
markup better than the original parser.

Keep up with the latest Advogato features by reading the Advogato status blog.

If you're a C programmer with some spare time, take a look at the mod_virgule project page and help us with one of the tasks on the ToDo list!