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Full configuration interaction dissociation energy

Figure 3 Bond dissociation potential for hydrogen flumde computed at various levels of theory with the 6-31G basis set (a) total energies and (b) energy differences relative to full configuration interaction (reproduced with permission from Ref. 4)... Figure 3 Bond dissociation potential for hydrogen flumde computed at various levels of theory with the 6-31G basis set (a) total energies and (b) energy differences relative to full configuration interaction (reproduced with permission from Ref. 4)...
See other pages where Full configuration interaction dissociation energy is mentioned: [Pg.49]    [Pg.332]    [Pg.21]    [Pg.166]    [Pg.77]    [Pg.76]    [Pg.156]    [Pg.381]    [Pg.447]    [Pg.261]    [Pg.499]    [Pg.1111]    [Pg.2669]    [Pg.2670]    [Pg.146]    [Pg.128]    [Pg.4]    [Pg.1172]    [Pg.33]    [Pg.773]    [Pg.439]    [Pg.237]    [Pg.82]   
See also in sourсe #XX -- [ Pg.131 ]



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Configurational interaction

Energy configuration

Full configuration interaction

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