Рет қаралды 15,102
Short lecture on the use of atomic units in the Hamiltonian operator of molecular systems.
Molecular systems exist at a very very small scale such that using SI units is very inconvenient, requiring scientific notation for expressing almost every value. Additionally, the molecular Hamiltonian is full of physical constants which make derivations tedious and error-prone. Both of these problems can be solved by the use of atomic units, where many common quantities are set to a value of 1, including the mass and charge of the electron, hbar, and the permittivity of free space. This gives a distance unit of Bohr, which is 0.529 Angstroms.
Notes Slide: i.imgur.com/229AXu1.png
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