In this paper use is made of the Mulliken atomic density basis set to build up matrix descriptions of the density function and to construct algorithms which permit to express one density function with the atomic basis set of another in the most accurate way possible.
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R. Carbó-Dorca, J. Math. Chem. (submitted for publication)
See, for example: R. Carbó-Dorca, J. Math. Chem. 32 (2002) 201.
R. Carbó-Dorca and P. Bultinck, (a) J. Math. Chem. 36 (2004) 231; (b) J. Math. Chem. 36 (2004) 201.
L. Amat and R. Carbó-Dorca, (a) J. Comput. Chem. 18 (1997) 2023; (b) J. Comput. Chem. 20 (1999) 911.
Bultinck P., Carbó-Dorca R. (2004). J. Math. Chem. 36: 191
R. S. Mulliken, J. Chem. Phys. 23 (1955) 1833, 1841, 2338, 2343.
Löwdin P.O. (1955). Phys. Rev. 97: 1474
R. Carbó-Dorca, J. Math. Chem. (in press).
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Carbó-Dorca, R. Mathematical aspects of the LCAO MO first order density function (2): Relationships between density functions. J Math Chem 43, 1102–1118 (2008). https://doi.org/10.1007/s10910-007-9245-7
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DOI: https://doi.org/10.1007/s10910-007-9245-7