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Cleanthes A. Nicolaides Quantum chemistry and its “ages” International Journal of Quantum Chemistry 114

Version of Record online: 24 FEB 2014 | DOI: 10.1002/qua.24640

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The domain and horizon of modern Quantum Chemistry are broader than those of its dominant component, namely, Computational Quantum Chemistry of the ground state. Hamiltonians can create energy- or time-dependent unstable states whose effects are measured inside the continuous spectrum. The understanding and practical solution of the corresponding many-electron problems can be carried out reliably, using state-specific, nonperturbative methodologies that solve the Schrödinger equation efficiently as a function of real or complex energies, or of time.

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