TY - JOUR
T1 - Adaptive basis set for quantum mechanical calculation based on hierarchical finite element method
AU - Sugawara, M.
N1 - Funding Information:
This work was supported, in part, by a Grant-in-Aid for Scientific Research from the Ministry of Education, Science and Culture.
PY - 1998/10/23
Y1 - 1998/10/23
N2 - 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.
AB - 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.
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U2 - 10.1016/S0009-2614(98)00992-0
DO - 10.1016/S0009-2614(98)00992-0
M3 - Article
AN - SCOPUS:0001720451
SN - 0009-2614
VL - 295
SP - 423
EP - 430
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 5-6
ER -