On the accuracy of numerical Hartree?Fock energies
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry
Link
http://link.springer.com/content/pdf/10.1007/s00214-004-0618-8.pdf
Reference30 articles.
1. Montgomery JA Jr, Ochterski JW, Petersson GA (1994) J Chem Phys 101:5900
2. (a) Curtiss, LA, Raghavachari K, Redfern PC, Rassolov V, Pople JA (1998) J Chem Phys 109:7764;
3. (b) Curtiss A, Redfern PC, Raghavachari K, Pople JA (2002) Chem Phys Lett 359:390
4. Boese DA, Oren M, Atasoylu O, Martin JML, Kallay G, Gauss J (2004) J Chem Phys 120:4129
5. Schuurman MS, Muir SR, Allen WD, Schaefer III HF (2004) J Chem Phys 120:11586
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