Subsystem embedding condition

The theory of solvent effects on the electronic structure of a given solnte leads to a representation of the subsystem embedded in a larger one with the help of effective Hamiltonians, wave functions, and eigenvalues. Since the whole electronic system is quantum mechanical in nature, and in principle nonseparable, the theory for the ground electronic state permits defining under which conditions the solnte and solvent separability is an acceptable hypothesis. It is possible to distinguish passive from... 

We underline also the fundamental difference between the orbital-free embedding route (Eq. 53) and that offered by Phillips-Kleinman pseudopotentials. In the calculations based on Eqs. 31-32, the embedded orbitals of two different subsystems are not subject to the orthogonality condition which is explicitly imposed in Eq. 55. 

The AIM chemical potentials defined by the partial functional derivatives of equation (35), calculated for the fixed external potential and the frozen embedding densities pp a r) of the remaining subsystems, are equalized only when the subsystems are mutually open [4,5], This is the case in the global equilibrium state considered in the preceding section. In what follows we shall denote such open subsystem condition by the vertical broken fines in the symbolic representation of the molecular system as a whole, Mg = (a fi y. ..), in the global (g, intersubsystem) equilibrium of the ground-state of an externally open system ... 

FYom the simulation model, the functional code for the controller block is automatically generated by Simulink. The generated code is about 500 lines of C code with several conditional paths, as the controller can adapt its output in the event that any magnetorquer or magnetometer is out of service. This code is embedded in an Ada task, being part of the software architecture of the ADCS subsystem described in the following section 5. 

---