Questions tagged [wavefunctions]

Refers to a mathematical description of a quantum state of a system.

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Wavefunction magnitudes being degenerate everywhere on parameter space even though energy degeneracies occur at isolated points?

Cross-posted here: https://physics.stackexchange.com/questions/635887/wavefunction-magnitudes-being-degenerate-everywhere-on-parameter-space-even-thou Consider the usual simple 2-level gapless ...
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How can I calculate and plot the Molecular orbitals (MO's) from the Gaussian wavefunction file?

This a follow-up question to my previous question. And as per the answer one could create M.O orbitals from the primitives. As a new user of Gaussian, is there any method (or algorithm) to followed so ...