# arc.calculations_atom_single.Wavefunction.getRtimesPsiSpherical#

Wavefunction.getRtimesPsiSpherical(theta, phi, r)[source]#

Calculates list of $$r \cdot \psi_{m_s} (\theta, \phi, r)$$

At point defined by spherical coordinates, returns list of $$r \cdot \psi_{m_s} (\theta, \phi, r)$$ wavefunction values for different electron spin projection values $$m_s$$.

Coordinates are defined relative to atomic core.

Parameters
• theta (float) – polar angle (angle between $$z$$ axis and vector pointing towards selected point) (in units of radians).

• phi (float) – azimuthal angle (angle between $$x$$ axis and projection at $$x-y$$ plane of vector pointing towards selected point) (in units of radians).

• r (float) – distance between coordinate origin and selected point. (in atomic units of Bohr radius $$a_0$$)

Returns

list of complex values corresponding to $$\psi_{m_s} (\theta, \phi, r)$$ for different spin states $$m_s$$ contributing to the state in decreasing order of $$m_s$$. For example, for arc.AlkaliAtom returns $$r \cdot \psi_{m_s=+1/2} (\theta, \phi, r)$$ and $$r \cdot \psi_{m_s=-1/2} (\theta, \phi, r)$$