# Wavefunctions#

class Wavefunction(atom, basisStates, coefficients)[source]#

Calculates and plots electron wavefunctions.

For an example see wavefunction plotting example snippet.

Args:

atom: atom type considered (for example Rubidum87()) basisStates (array): array of states in fine basis that contribute

to the state whose wavefunction is requested. $$[[n_1, \ell_1, j_1, m_{j1}], ...]$$ For efficient calculation do not pass all the possible basis states, but just the once that have significant contribution to the reqested state.

coefficients (array): array [c1, …] of complex coefficents

$$c_i = \langle \psi_i |\psi\rangle$$ corresponding to decomposition of required state $$|\psi\rangle$$ on basis states $$|\psi_i \rangle$$ .

## Calculating#

 getPsi(x, y, z) Calculates list of $$\psi_{m_s} (x,y,z)$$ getRtimesPsi(x, y, z) Calculates list of $$r \cdot \psi_{m_s} (x, y, z)$$ getRtimesPsiSpherical(theta, phi, r) Calculates list of $$r \cdot \psi_{m_s} (\theta, \phi, r)$$ getRtimesPsiSquaredInPlane([plane, ...]) Calculates $$|r \cdot \psi|^2$$ on a mesh in a given plane.

## Visualising#

 plot2D([plane, pointsPerAxis, axisLength, ...]) 2D colour plot of $$|r \cdot \psi|^2$$ wavefunction in a requested plane. plot3D([plane, pointsPerAxis, axisLength, ...]) 3D colour surface plot of $$|r \cdot \psi|^2$$ wavefunction in a requested plane.