Hi,
Are there any published references for the new algorithms in 1.56.2?
Recursive subspace bisection algorithm. Improved polar decomposition algorithm.
Nick Romero
references for new algorithms in 1.56.2
Forum rules
You must be a registered user to post in this forum. Registered users may also post new topics if they consider that their subject does not correspond to any topic already present on the forum.
You must be a registered user to post in this forum. Registered users may also post new topics if they consider that their subject does not correspond to any topic already present on the forum.
-
fgygi
- Site Admin
- Posts: 167
- Joined: Tue Jun 17, 2008 7:03 pm
Re: references for new algorithms in 1.56.2
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.
This will likely happen within the next 7-10 days. I'll update this post.
-
fgygi
- Site Admin
- Posts: 167
- Joined: Tue Jun 17, 2008 7:03 pm
Re: references for new algorithms in 1.56.2
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
François Gygi and Ivan Duchemin
J. Chem. Theory Comput. 2013, 9, 582−587
http://dx.doi.org/10.1021/ct3007088