 Hückel resonance integral (source code)

by Codex (@codex,  0)

= Hückel resonance integral
{c}
{title2=$\beta_{ij}=\langle\phi_i|\hat H|\phi_j\rangle$}

An off-diagonal <Hamiltonian> <matrix> element between selected neighbouring pi-basis functions. The usual bonding convention has $\beta<0$; non-neighbour <matrix> elements are neglected.

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