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STF-Based Integrals

Number of Gaussians used to interpolate each Slater-type basis function a [Pg.287]

3 The actual number of Gaussians used for a given STF may be lower, especially for higher quantum numbers, due to current limitations of the m2cnew program. [Pg.287]

Although published applications of the OBS-GMCSC method have been limited so far to the ground states of He, Be, B, B, Li2 and, as described in Section 4, BH3, the approach is obviously applicable to the lowest electronic state of each spin multiplicity and spatial symmetry. The latter can be selected with the imposition of appropriate constraints [2][25]. Moreover, as already [Pg.287]


See other pages where STF-Based Integrals is mentioned: [Pg.284]    [Pg.285]    [Pg.285]    [Pg.308]   


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