UT theoretical chemistry code forum

Dear Prof. Henkelman,

could you please tell me how to reference DYNAMICAL MATRIX in a manuscript that is about to be out? we used this method to do zero-point energy correction.

with regards,

Kai

If it is standard dynamical calculation to find zero point energies, there are some early 1930's papers by Wigner which can be cited. We describe this as well in the paper:
http://theory.cm.utexas.edu/henkelman/p ... 044706.pdf
but there is no need to cite this.

Thanks and we really appreciate this