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Extended floating spherical Gaussian basis

Some applications of perturbation theory to molecular problems would benefit from the simplicity of an extended floating spherical Gaussian basis. Adamowicz and Bartlett ° have developed a procedure for projecting large conventional basis set wave functions onto a floating spherical Gaussian basis. [Pg.29]

L. Adamowicz and R. J. Bartlett, Chem. Phys. Lett., 105, 167 (1984). Extended Floating Spherical Gaussian Basis Sets for Molecules. Generation Procedure and Results for HjO. [Pg.42]


See other pages where Extended floating spherical Gaussian basis is mentioned: [Pg.65]   
See also in sourсe #XX -- [ Pg.29 ]




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