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Uniform scaling, electronic charges subsystems

Examples of a non-uniform scaling of the subsystem electronic charges ame represented by the paths 2-6 in Fig. 2 we have summarized in the figure Eqs. (44) and (53)-(55) identifying the subsystem scaled external potentials corresponding to the four points defining these scaling trajectories. [Pg.246]

Figure 2. Uniform (1) and nonuniform (2-6) scaling paths of electronic charges in the complementary subsystems of M = (i4 B). The subsystem external potentials of the scaled hamiltonians for the starting and end points of each path are also listed, with the upper (lower) entries corresponding to ti (B). Figure 2. Uniform (1) and nonuniform (2-6) scaling paths of electronic charges in the complementary subsystems of M = (i4 B). The subsystem external potentials of the scaled hamiltonians for the starting and end points of each path are also listed, with the upper (lower) entries corresponding to ti (B).
The Hellmann-Feynman theorem for the uniform, A-sca-ling scheme of electronic interactions/charges in the scaled ground state 4 Ip, P ] = of the two subsystems in M(, A) reads ... [Pg.248]


See other pages where Uniform scaling, electronic charges subsystems is mentioned: [Pg.217]    [Pg.218]    [Pg.220]    [Pg.239]    [Pg.243]   
See also in sourсe #XX -- [ Pg.239 , Pg.240 , Pg.241 ]




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