Adaptive basis set for quantum-mechanical calculation based on element-free Galerkin method

Michihiko Sugawara

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

A new adaptive basis set based on the element-free Galerkin method (EFGM) for the quantum-mechanical calculation is proposed. In this method, wavefunctions are constructed on the basis of moving least-square (MLS) interpolation. Adaptivity is introduced by adjusting node distribution and associated parameters to nature of the solution, or distribution of zero and stationary points of the target wavefunction. Applications of the adaptive EFGM (AEFGM) to eigenvalue problems of one-dimensional harmonic oscillator and double-well potential systems are presented to demonstrate its effectiveness.

Original languageEnglish
Pages (from-to)522-528
Number of pages7
JournalChemical Physics Letters
Volume314
Issue number5-6
Publication statusPublished - 1999 Dec 10

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Galerkin method
Galerkin methods
Wave functions
harmonic oscillators
interpolation
Interpolation
eigenvalues
adjusting

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

Adaptive basis set for quantum-mechanical calculation based on element-free Galerkin method. / Sugawara, Michihiko.

In: Chemical Physics Letters, Vol. 314, No. 5-6, 10.12.1999, p. 522-528.

Research output: Contribution to journalArticle

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