Computing technologies, theories, and algorithms: The making of 40 years and more of theoretical and computational chemistry

Theory and Applications of Computational Chemistry

Volumn , Issue , 2005, Pages 1-7

  Dykstra, Clifford E ^a   Frenking, Gernot ^b   Kim, Kwang S ^c   Scuseria, Gustavo E ^d  

^a INDIANA UNIVERSITY   (United States)

^b PHILIPPS UNIVERSITY MARBURG   (Germany)

^c Pohang University of Science and Technology (POSTECH)   (South Korea)

^d RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84885109062     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1016/B978-044451719-7/50044-5     Document Type: Chapter

References (8)

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2. http://www.qcpe.indiana.edu/history/changing_role_1989.html.
3. Richards W.G., Walker T.E.H., Hinkley R.K. A bibliography of ab initio molecular wave functions 1971, Clarendon Press.
4. Ahlrichs R., Driessler F. Determination of pair natural orbitals. A new method to solve the multi-configuration Hartree-Fock problem for two-electron wave functions. Theor. Chim. Acta 1975, 36:275.
5. Meyer W. Theory of self-consistent electron pairs. An iterative method for correlated many-electron wavefunctions. J. Chem. Phys. 1976, 64:2901.
6. Dykstra C.E., Schaefer H.F., Meyer W. A theory of self-consistent electron pairs. Computational methods and preliminary applications. J. Chem. Phys. 1976, 65:2740.
7. Binkley J.S. Algorithmic considerations in large mainframe computers. NATO ASI Ser. C 1984, 133:209.
8. Almlöf J., Taylor P.R. Computational aspects of direct SCF and MCSCF methods. NATO ASI Ser. C 1984, 133:107.