Copyright © 2004–2008 by A. Miyoshi, Univ. Tokyo
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BEx1D: One-dimensional Schrödinger equation solver

  BEx1D (acronym for Basis-set Expansion solver for 1-Dimensional Schrödinger equation) is a package of calculation tools for eigenstates and partition functions of intramolecular nuclear motions, for which harmonic oscillator approximation is inadequate, such as hindered rotations.
  Currently, beta-testing distribution of BEx1D including source codes and Microsoft Windows binaries is available.   Contact the author for request of a distribution copy.
Distribution and licensing
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Installation
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Revision History

Reference Manuals for BEx1D Components

Potential curve fitting tool
bx1fitPlls Tool to derive a potential energy function, either a power series or a Fourier series, suitable for the eigen problem solver, bx1VIBsol, bx1HRsol, or bx1S2HRsol, by linear least-squares fitting.
Eigen problem solvers
bx1VIBsol Schrödinger-equation eigen-problem solver for a one-dimensional VIBrational motion on a power series potential with infinite-zero boundary condition by basis function expansion method.
bx1HRsol Schrödinger-equation eigen-problem solver for a intramolecular one-dimensional Hindered Rotation on a Fourier series potential with periodic boundary condition by basis function expansion method.
bx1S2HRsol Schrödinger-equation eigen-problem solver for a intramolecular cylindrically Symmetric 2-dimensional Hindered Rotation on a Fourier series potential by basis function expansion method.