A principal idea towards realizing adaptive basis set for quantum mechanical calculation is presented. The adaptive basis set is constructed based on the hierarchical finite element method, which permits mixing of the element sizes and the orders. The adaptability is introduced by adjusting these parameters. Application to the eigenvalue problem of the one-dimensional harmonic oscillator system is presented to demonstrate its effectiveness.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry