Estimating the Hartree—Fock limit from finite basis set calculations
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry
Link
http://link.springer.com/content/pdf/10.1007/s00214-005-0635-2.pdf
Reference37 articles.
1. (a) Dunning TH Jr (1989) J Chem Phys 90:1007;
2. (b) Peterson KA, Dunning TH Jr (2002) J Chem Phys 117:10548
3. Halkier A, Helgaker T, Jorgensen P, Klopper W, Koch H, Olsen J, Wilson AK (1998) Chem Phys Lett 286:243
4. Jensen F (2000) Theo Chem Acc 104:484
5. (a) Martin JML, Oliveira G (1999) J Chem Phys 111:1843;
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