Titlebook: Computational Simulation in Nanophotonics and Spectroscopy; Mengtao Sun,Xijiao Mu Book 2023 Tsinghua University Press 2023 Computational S

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France Riguelle,Didier Van CaillieThe theoretical calculation of the excited state is usually these: (1) Vertical excitation energy: Vertical excitation is purely an excitation process imagined by theorists, that is, the structure does not change during the transition process.

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Jozef Husár,Jakub Ka??ak,Stella HrehováIn chemistry, infrared spectroscopy is often used to analyze the composition and changes of solutions, because some molecular groups have infrared characteristic fingerprints.

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Sustainable Management of Natural ResourcesWhen light passes through a solid, light absorption occurs due to the interaction of light with electrons, excitons, lattice vibrations and defects in the solid.

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Introduction,Nanophotonics and spectroscopy have developed rapidly in recent years.

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Theoretical Basis of Computational Simulation,Solving the Hartree–Roothaan equation after strictly calculating all integrals without any simplification is called ab initio calculation.

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Vibration Spectrum Calculation and Analysis,In chemistry, infrared spectroscopy is often used to analyze the composition and changes of solutions, because some molecular groups have infrared characteristic fingerprints.