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references for new algorithms in 1.56.2
Posted: Thu Jul 26, 2012 7:55 pm
by naromero
Hi,
Are there any published references for the new algorithms in 1.56.2?
Recursive subspace bisection algorithm. Improved polar decomposition algorithm.
Nick Romero
Re: references for new algorithms in 1.56.2
Posted: Thu Jul 26, 2012 10:54 pm
by fgygi
The current state of the reference for recursive subspace bisection is "F. Gygi and I. Duchemin, Efficient Computation of Hartree-Fock exchange using Recursive Subspace Bisection, to be submitted"
This will likely happen within the next 7-10 days. I'll update this post.
Re: references for new algorithms in 1.56.2
Posted: Sat Feb 16, 2013 10:04 pm
by fgygi
Efficient Computation of Hartree−Fock Exchange Using Recursive Subspace Bisection
François Gygi and Ivan Duchemin
J. Chem. Theory Comput. 2013, 9, 582−587
http://dx.doi.org/10.1021/ct3007088