Used to approximate the absorption spectra of conjugated polyenes (like -carotene). Harmonic Oscillator
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The total energy acting as a potential for nuclear motion (Potential Energy Surface, or PES) is: quantum chemistry lecture notes pdf verified
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By tweaking parameters in the trial wavefunction, scientists minimize Etrialcap E sub trial end-sub to get as close to the real energy as possible. 5. Molecular Electronic Structure Theories Used to approximate the absorption spectra of conjugated
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