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Theoretical Techniques Key Equations

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2020/02/25 Share

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Published on:25th February 2020, 8:47 pm

Updated on:9th June 2020, 3:19 pm

License:CC BY 4.0

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    CATALOG
    1. 1. Huckel
      1. 1.1. Cyclic polyenes
      2. 1.2. Linear polyenes
      3. 1.3. Alternant hydrocarbons
    2. 2. Wavefunction
      1. 2.1. Slater determinant
      2. 2.2. Population and bond order
      3. 2.3. Physicists’ notation for 2-electron integrals
    3. 3. Perturbation theory
    4. 4. Normal modes
      1. 4.1. Mass weighted coordinates
      2. 4.2. Dynamical matrix
      3. 4.3. Perturbation of normal mode frequencies