Extends Kähler manifold approach from Part I to CASSCF, deriving linear response equations and a first-order-derivative state-specific method for molecular excited states while noting identification challenges from nonlinearity.
Constrained dynamics for searching sad- dle points on general Riemannian manifolds
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Critical point search and linear response theory for computing electronic excitation energies of molecular systems. Part II. CASSCF
Extends Kähler manifold approach from Part I to CASSCF, deriving linear response equations and a first-order-derivative state-specific method for molecular excited states while noting identification challenges from nonlinearity.