Quantum Chemistry / Quantum Mechanics

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Quantum Chemistry / Quantum Mechanics

Control questions Write and solve the Schroedinger equation for a free particle in one-dimensional potential well. Write and solve the Schroedinger equation for a harmonic oscillator and discuss the solution (no derivation). Write the Slater determinant (D) for two electrons in to spinorbitals y1 a y2. What is the Born-Oppenheimer approximation? What is the spin of an electron?

example of atomic/molecular computations Independent work Gaussian software www.gaussian.com example of atomic/molecular computations