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Chemical Reactivity Dynamics and Quantum Chaos in Highly Excited Hydrogen Atoms in an External Field
[chapter]
2011
Models and Applications of Chaos Theory in Modern Sciences
Dynamical behavior of chemical reactivity indices like electronegativity, hardness, polarizability, electrophilicity and nucleophilicity indices is studied within a quantum fluid density functional framework for the interactions of a hydrogen atom in its ground electronic state (n = 1) and an excited electronic state (n = 20) with monochromatic and bichromatic laser pulses. Time dependent analogues of various electronic structure principles like the principles of electronegativity equalization,
doi:10.1201/b11408-42
fatcat:ymburbgaqrgtzlpm7qqmvwii6e