Gaussian-2 (G2) theory: Reduced basis set requirements

Journal of Chemical Physics

Volumn 104, Issue 13, 1996, Pages 5148-5152

  Curtiss, Larry A ^a   Redfern, Paul C ^a   Smith, Brian J ^b   Radom, Leo ^c  

^a ARGONNE NATIONAL LABORATORY   (United States)

^b CSIRO   (Australia)

^c AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0009780705     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.471141     Document Type: Article

References (17)

1. For reviews, see L. A. Curtiss and K. Raghavachari, in Quantum Mechanical Electronic Structure Calculations With Chemical Accuracy, edited by S. R. Langhoff (Kluwer, Dordrecht, 1995), p. 173;
2. K. Raghavachari and L. A. Curtiss, in Modem Electronic Structure Theory, edited by D. R. Yarkony (World Scientific, Singapore, 1995), p. 991.
3. L. A. Curtiss, K. Raghavachari, G. W. Trucks, and J. A. Pople, J. Chem. Phys. 94, 7221 (1991).
4. L. A. Curtiss, K. Raghavachari, and J. A. Pople, J. Chem. Phys. 98, 1293 (1993).
5. B. J. Smith and L. Radom, J. Phys. Chem. 99, 6468 (1995).
6. B. J. Smith and L. Radom, Chem. Phys. Lett. 245, 123 (1995).
7. W. J. Hehre, L. Radom, P. v. R. Schleyer, and J. A. Pople, Ab Initio Molecular Orbital Theory (Wiley, New York, 1986).
8. M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. DeFrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, Gaussian 94 (Gaussian Inc., Pittsburgh PA, 1995).
9. J. A. Pople, M. Head-Gordon, and K. Raghavachari, J. Chem. Phys. 87, 5968 (1987).
10. J. A. Pople, M. Head-Gordon, D. J. Fox, K. Raghavachari, and L. A. Curtiss, J. Chem. Phys. 90, 5622 (1989).
11. L. A. Curtiss, C. Jones, G. W. Trucks, K. Raghavachari, and J. A. Pople, J. Chem. Phys. 93, 2537 (1990).
12. L. A. Curtiss, J. E. Carpenter, K. Raghavachari, and J. A. Pople, J. Chem. Phys. 96, 9030 (1992).
13. L. A. Curtiss, K. Raghavachari, and J. A. Pople, J. Chem. Phys. 103, 4192 (1995).
14. For other recent modifications of the G2 procedure see, for example, S. Gronert, J. Am. Chem. Soc. 115, 10258 (1993);
15. C. W. Bauschlicher and H. Partridge, J. Chem. Phys. 103, 1788 (1995);
16. M. Glukhovtsev, A. Pross, M. P. McGrath, and L. Radom, ibid. 103, 1878 (1995);
17. A. M. Mebel, K. Morokuma, and M. C. Lin, ibid. 103, 7414 (1995).