Abstract:We investigate the validity of employing a potential dependent polarizability in a model to determine atom in molecule (AIM) polarizabilities. It is found that the assumption of an electric potential dependent polarizability leads to a contravention of the principle of conservation of energy.
“…Shanker et al have argued that the polarizability depends on the environment of the atom on which there is evidence from condensed systems. 29 This has been questioned by Donald et al 30 in response to which Shanker and Kushwah wrote ''a detailed investigation is required to resolve the question of potential dependent polarizability''. 31 Table 2 provides a comparison of recent state of the art ab initio calculations of the free ion polarizabilities 32 with some recent literature values of the ion-in-molecule polarizabilities.…”
Section: Dispersion Coefficients and Polarizabilitiesmentioning
confidence: 99%
“…Shanker et al have argued that the polarizability depends on the environment of the atom on which there is evidence from condensed systems. 29 This has been questioned by Donald et al 30 in response to which Shanker and Kushwah wrote “a detailed investigation is required to resolve the question of potential dependent polarizability”. 31…”
A new semiempirical potential is described for the ground state Χ1 Σ+ of the alkali halide diatoms. The model potential is the first to account for the damping of all...
“…Shanker et al have argued that the polarizability depends on the environment of the atom on which there is evidence from condensed systems. 29 This has been questioned by Donald et al 30 in response to which Shanker and Kushwah wrote ''a detailed investigation is required to resolve the question of potential dependent polarizability''. 31 Table 2 provides a comparison of recent state of the art ab initio calculations of the free ion polarizabilities 32 with some recent literature values of the ion-in-molecule polarizabilities.…”
Section: Dispersion Coefficients and Polarizabilitiesmentioning
confidence: 99%
“…Shanker et al have argued that the polarizability depends on the environment of the atom on which there is evidence from condensed systems. 29 This has been questioned by Donald et al 30 in response to which Shanker and Kushwah wrote “a detailed investigation is required to resolve the question of potential dependent polarizability”. 31…”
A new semiempirical potential is described for the ground state Χ1 Σ+ of the alkali halide diatoms. The model potential is the first to account for the damping of all...
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