Linear-response model

The fitting of electronegativities and hardnesses is done independently of each other with the help of a reformulation of the fluctuating charge model in terms of a linear response model [117, 120, 210], In the presence of an external potential the electrostatic energy defined in Eq. (9-35) is ... 

The toxic effects model uses concentration-time profiles from the respiratory and skin protection models as input to estimate casualty probabilities. Two approaches are available a simple linear dose-effect model as incorporated in RAP and a more elaborate non-linear response model, based on the Toxic Load approach. The latter provides a better description of toxic effects for agents that show significant deviations of simple Haber s law behaviour (i.e. toxic responses only depend on the concentration-time product and not on each quantity separately). 

The simplest linear response model for the RF induced electron density compatible with expression (97) of Or is ... 

On the other hand, some limitations are present in the proposed formalism. For instance, all the solute polarization is assumed to be electronic in nature. Orientational (temperature dependent) effects are not introduced in the present formulation of solvation effects. However, this limitation allowed us to adopt a simple linear response model for the representation of the induced electronic polarization through the polarization of an electron... 

Fig. 1. (a) Derivative of the liquid form-factor of CCU at constant pressure at 300 K. Solid line MD simulation, dashed line experimental, (b) Time-dependent x-ray scattering of heated CCI4 from our linear response model. From bottom to top at 1.2 A-1 100 ps, 10 ns, 20 ns, 50 ns and 100 ns. 

In this recent approach, Girlando, Painelli and Soos (GPS) [119-122] improve the linear response model used by Horovitz in several respects. 

S. Ghosh and D. Mukherjee, Proc. Indian Acad. Sci. (Chem. Set.), 93, 947 (1984). Use of Cluster Expansion Techniques in Quantum Chemistry. A Linear Response Model for Calculating Energy Differences. 

Formally, expression (58) reproduces that obtained in the Lindhard-Sharff model [18] the stopping number for uniform electron gas is averaged over the density distribution in atomic shell. Moreover, if the linear response model is considered (C = G, the factor G is defined by equation (51)) the basic expression of LS model is reproduced exactly ... 

---