Partitioned Rational Function Optimization P-RFO

In the Partitioned Rational Function Optimization (P-RFO), two shift parameters are employed. 

In the partitioned rational function optimization (P-RFO) the energy is approximated by a rational function instead of a second-order Taylor series ... 

CPR = conjugate peak refinement GDIIS = geometry direct inversion in the iterative subspace GE = gradient extremal LST = linear synchronous transit LTP = line then plane LUP = locally updated planes NR = Newton-Raph-son P-RFO = partitioned rational function optimization QA = quadratic approximation QST = quadratic synchronous transit SPW = self-penalty walk STQN = synchronous transit-guided quasi-Newton TRIM = trust radius image minimization TS = transition structure. 

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