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机译:Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximation
Univ Penn;
Q Chem Inc;
AROMATIC CARBONYL-COMPOUNDS; DENSITY-FUNCTIONAL THEORY; MR-CI LEVEL; CONICAL INTERSECTIONS; WAVE-FUNCTIONS; AB-INITIO; MATRIX-ELEMENTS; HARTREE-FOCK; NONADIABATIC COUPLINGS; ELECTRONIC RELAXATION;