Wednesday, June 9, 2010

Re-inventing the wheel (with open boundary conditions...)

The Journal of Chemical Theory and Computation just published a paper,

Conjugated Molecules Described by a One-Dimensional Dirac Equation

I had a sense of deja vu reading the first two-thirds of the paper. In the 1980's there was a lot of work in this direction in the physics community, beginning with this PRB by Takayama, Liu, and Maki, which has hundreds of citations. However, the JCTC paper authors appear to be unaware of all this earlier work.

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