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Matrix Inverse
william-dawson edited this page Oct 11, 2018
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The matrix inverse can be computed using Hotelling's method.
For a more detailed introduction to Hotelling's method, please see my blog post: https://william-dawson.github.io/blog/method/2017/08/21/hotelling.html
For Hotelling's method in the context of electronic structure calculations, I think it is appropriate cite the following paper:
@article{palser1998canonical, title={Canonical purification of the density matrix in electronic-structure theory}, author={Palser, Adam HR and Manolopoulos, David E}, journal={Physical Review B}, volume={58}, number={19}, pages={12704}, year={1998}, publisher={APS} }
Of course, the original work of Dr. Harold Hotelling should be recognized
@article{hotelling1943some, title={Some new methods in matrix calculation}, author={Hotelling, Harold}, journal={The Annals of Mathematical Statistics}, volume={14}, number={1}, pages={1--34}, year={1943}, publisher={JSTOR} }
There is also a very nice later paper by Dr. Taisuke Ozaki:
@article{ozaki2001efficient, title={Efficient recursion method for inverting an overlap matrix}, author={Ozaki, T}, journal={Physical Review B}, volume={64}, number={19}, pages={195110}, year={2001}, publisher={APS} }