Accuracy of energy extrapolation in multireference configuration interaction calculations
Author:
Publisher
Springer Science and Business Media LLC
Subject
Chiropractics,Physical and Theoretical Chemistry
Link
http://link.springer.com/content/pdf/10.1007/BF00550421.pdf
Reference31 articles.
1. Shavitt, I. in: Methods of electronic structure theory, Schaefer, H. F., III, ed. p. 189, New York: Plenum Press 1977
2. Bernal, M. J. M., Boys, S. F.: Phil. Trans. R. Soc. (London) A245, 139 (1952)
3. Nesbet, R. K.: Proc. R. Soc. (London) A230, 312 (1955)
4. Bender, C. F., Davidson, E. R.: J. Chem. Phys.47, 4972 (1967); Phys. Rev.183, 23 (1969)
5. Gershgorn, Z., Shavitt, I.: Int. J. Quantum Chem.2, 751 (1968)
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