State specific methods

C.A. Nicolaides, Theory and state-specific methods for the analysis and computation of field-free and field-induced unstable states in atoms and molecules, Adv. Quant. Chem. 60 (2010) 163. 

C.A. Nicolaides, Theory and state-specific methods for the analysis and computation of field-free and field-induced unstable states in atoms and molecules, in C.A. Nicolaides, E. Brandas (Eds.), Unstable States in the Continuous Spectra, Part I Analysis, Concepts, Methods, and Results, Vol. 60 of Advances in Quantum Chemistry, Academic Press, 2010, p. 163-267. 

Petroleum fuel analyses in some states are conducted according to state-specific methods, whereas in others they are conducted according to EPA Method 8015. 

The state-specific method solves the nonlinear Schrodinger equation for the state of interest (ground and excited state) usually within a multirefence approach (Cl, MCSCF or CASSCF descriptions), and it postulates that the transition energies are differences between the corresponding values of the free energy functional, the basic energetic quantity of the QM continuum models. The nonlinear character of the reaction potential requires the introduction in the SS approaches of an iteration procedure not present in parallel calculations on isolated systems. 

At a given computational level, the solvent relaxation contribution to the excitation energy may be approximated by using two basically different methods, the state-specific method (SS) and the linear response method (LR), depending on the QM methodology used. This directly involves the problem of extending the PCM basic model to a QM description proper for excited states. 

In particular, state-specific methods produce a state function and an energy ... 

Theory and State-Specific Methods for the Analysis and Computation of Field-Free and Field-Induced Unstable States in Atoms and Molecules... 

Theory and State-Specific Methods for the Analysis and Computation... 

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