Thursday, June 08, 2006

QMC derivation notes

I posted a document I wrote in grad school, Notes on the wavefunction and local energy. It contains derivations of various QMC formulas, particularly the first and second derivatives for several forms of wavefunctions.


I'm posting this for two reasons. The first is in case anyone finds the formulas useful when working on a QMC code.


The second is related to the process of scientific programming. When writing a QMC code, I found it useful to record the formulas and derivations in a neatly typset form. Then the next step involved turning the equations into computer code. (Then, of course, testing and debugging).


This workflow is what I would like to capture with the Progamming in Mathematical Notation work. The document with derivations could be written in content MathML (or something more amenable to human manipulation). Ideally the computer could then assist with verifying the derivations for correctness, and with converting the equations into computer code.


And as long as I'm dreaming, I'd really like a wiki-like interface for creating and editing such a document (making a set of hyperlinked pages rather than a single linear document)

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