Tags: hydrogen

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  1. Computational Hydrogen Notebook

    09 May 2017 | | Contributor(s):: Martin Hunt, Alejandro Strachan

    Solve the ground state for the hydrogen atom computationally using four gaussian functions as the basis set. You can change the width of each gaussian and explore how the description changes. Compare the energy and wave function with the exact solution.

  2. Roman Nazarov


  3. Ann O'Minus


  4. CHM 696 Lecture 4: Hydrogen Bonds and Other Directional Motifs/Encoded Self-Assembly

    07 Mar 2011 | | Contributor(s):: Alexander Wei

  5. CHM 696 Lecture 1: Molecular Recognition of Non-Spherical Ions/Hydrogen Bonding

    22 Feb 2011 | | Contributor(s):: Alexander Wei

    Molecular recognition of non-spherical ions: cations, anions, and chiral molecules;Hydrogen Bonding in molecular recognition

  6. Small Molecules in Intense Lasers via Time-Dependent Density Functional Theory

    24 Jul 2009 | | Contributor(s):: Marcela Meza, Daniel Lee Whitenack, Adam Wasserman

    Simulate the behavior of a hydrogen molecule when illuminated by an intense laser field.