Finite element approach to the vibrational Schroedinger equation of diatomic species.

スポンサーリンク

概要

• 論文の詳細を見る

• The finite element approach was successfully applied to the vibrational Schrödinger equation of diatomic species. An O<SUB>2</SUB> molecule with a harmonic potential and an Ar<SUB>2</SUB> molecule with a Lennard-Jones potential were examined and their eigen values and the associated eigen function were obtained. The calculated eigen values of the O<SUB>2</SUB> molecule agree with those expected. In the case of the Ar<SUB>2</SUB> molecule the calculated eigen values agree with those experimentally obtained when Lennard-Jones parameters are ε=115.1 (cm<SUP>−1</SUP>) and σ=3.35 (Å). This verifies the validity of the present approach.

• 公益社団法人 日本化学会の論文

著者

• Kanesaka Isao

  Computer Center of Toyama University, Toyama University

• Arai Hideyuki

  Computer Center of Toyama University, Toyama University

• Kagawa Yukio

  Computer Center of Toyama University, Toyama University

関連論文

• Finite element approach to the vibrational Schroedinger equation of diatomic species.

スポンサーリンク