Title

Error Estimation in Molecular Vibrational Energies Calculated by Johnson's Log-Derivative Method

Document Type

Article

Publication Date

5-1999

Publication Source

Computer Physics Communications

Volume

118

Issue

2-3

Inclusive pages

145–152

DOI

10.1016/S0010-4655(99)00203-9

Abstract

Estimates are made of the truncation errors in molecular vibrational energies when calculated by Johnson's log-derivative method. Numerical comparisons are made for some potentials whose eigenenergies are known analytically.

Disciplines

Chemistry

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