𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A two-dimensional multilevel adaptive finite element method for the time-independent Schrödinger equation

✍ Scribed by J. Ackermann; R. Roitzsch


Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
767 KB
Volume
214
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis


The subject of this study is a multilevel 2D finite element method (FEM) based on a local error estimator and self-adaptive grid refinement as a universal tool for solving stationary Schriidinger eigenvalue problems. Numerical results for standard problems appearing in vibrational motion and molecular electronic structure calculations are given and discussed. Results of relative precision IO-* are obtained. For the linear Hz+ 3 system the adaptive FEM turns out to be superior to global basis set expansions in the literature.


📜 SIMILAR VOLUMES


Application of finite-element method to
✍ Nobuyuki Sato; Suehiro Iwata 📂 Article 📅 1988 🏛 John Wiley and Sons 🌐 English ⚖ 797 KB

An algorithm to solve the two-dimensional Schrodinger equation based on the finite-element method is proposed. In our scheme, the molecular Hamiltonian with any arbitrary internal coordinate system can be solved as easily as with the Cartesian coordinate system. The efficient computer program based

Numerical Solution of the two-dimensiona
✍ Th. Monovasilis; Z. Kalogiratou; T. E. Simos 📂 Article 📅 2004 🏛 John Wiley and Sons ⚖ 146 KB 👁 1 views

## Abstract The solution of the two‐dimensional time‐independent Schrödinger equation is considered by partial discretization. The discretized problem is treated as an ordinary differential equation problem and solved numerically by asymptotically symplectic methods. The problem is then transformed

Application of the higher order finite-e
✍ Toshiyasu Kimura; Nobuyuki Sato; Suehiro Iwata 📂 Article 📅 1988 🏛 John Wiley and Sons 🌐 English ⚖ 651 KB

The accuracy and applicability of the finite-element method of the higher order interpolation functions to the one-dimensional Schrodinger equation were examined. When the fifth-order Lagrange and Hermite interpolation functions were used as the basis functions, practically exact solutions were obta

On a multilevel approach for the two dim
✍ C. Calgaro; A. Debussche; J. Laminie 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 377 KB 👁 2 views

We study if the multilevel algorithm introduced in Debussche et al. (Theor. Comput. Fluid Dynam., 7, 279±315 (1995)) and Dubois et al. (J. Sci. Comp., 8, 167±194 (1993)) for the 2D Navier±Stokes equations with periodic boundary conditions and spectral discretization can be generalized to more genera