Slow growth method

The removal of the ensemble average over the A, ensemble in the final line on the r.h.s. reflects the protocol of this technique, the so-called slow-growth method. It is assumed that if the Hamiltonian is infinitesimally perturbed at every step in the simulation, then the system will constantly be at equilibrium (following some initial period of equilibration), so separate ensemble averages need not be acquired. 

A third approach for the calculation of free energy differences from computer simulation is the slow growth method. Here, the Hamiltonian changes by a very small, constant amount at... 

Appendix 11.2 Using the Slow Growth Method for Calculating Free Energy Differences... 

Figure 16.1.7 Scanning electron micrographs of metal particles prepared using the slow growth method. The composition of the plating solutions employed for the electrodeposition of these metal particles is listed in Table 16.1.1. The deposition current density observed in each experiment was as follows (MoOj) 180-140 pA cm , (Cd) 40-60 pA cm , (Cu) 40-60 pA cm , (Ni) 240-260 pAcm , (Au) 30-40 pAcm, and (Pt) 5-100 pAcm". Reprinted with permission of the American Chemical Society and Elsevier.

SINDO model, 84 Singles, singly excited states, 100 Singlet instability, 76 Size consistency, 117 Size extensivity, 117 Slater Determinant (SD), 58, 59, 100 Slater Type Orbitals (STO), 150 Slater-Condon rules, 104 Slow growth method, 381 Small component, in relativistic wave functions, 207... 

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