approx.normalize: Approximate 1D normalization

In npetraco/che302r: Handy functions for CHEM 302, Physical Chemistry II

Approximate 1D normalization

Description

Approximately normalize a 1D-wave function

Usage

approx.normalize(wf.info, include.jacobian = FALSE, plotQ = FALSE)

Arguments

wf.info	Output from numerov.procedure
include.jacobian	For use with radial wave functions. To normalize these wave functions the Jacobian must be included (TRUE)
plotQ	Whether or not to plot the un-normalized probability density. For debugging.

Details

Approximately normalize a 1D-wave function spit out of numerov.procedure.

Value

A two column matrix. The first column is the x-axis over which the wave function was obtained. The second column is the normalized wave function solution.

References

Quantum Chemistry by Ira Levine. Any edition.

Examples

cf. examples in numerov.procedure

npetraco/che302r documentation built on April 17, 2025, 10:34 p.m.