Numerical method for the two-state linear curve crossing: nonadiabatic tunneling case

Chaoyuan Zhu; Hiroki Nakamura

doi:10.1016/0010-4655(93)90102-I

Numerical method for the two-state linear curve crossing: nonadiabatic tunneling case

Chaoyuan Zhu, Hiroki Nakamura^*

^*Corresponding author for this work

Department of Applied Chemistry

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

Abstract

A new reliable numerical method is proposed for solving the two-state coupled equations with two linear potentials which intersect with opposite sign of slopes. The original coupling equations which suffer from a very rapid oscillation are transformed into a new form which gives ordinary sine and cosine solutions asymptotically. The amplitude and phase of the scattering matrix can be stably and accurately calculated.

Original language	English
Pages (from-to)	9-17
Number of pages	9
Journal	Computer Physics Communications
Volume	74
Issue number	1
DOIs	https://doi.org/10.1016/0010-4655(93)90102-I
State	Published - 1 Jan 1993

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abstract = "A new reliable numerical method is proposed for solving the two-state coupled equations with two linear potentials which intersect with opposite sign of slopes. The original coupling equations which suffer from a very rapid oscillation are transformed into a new form which gives ordinary sine and cosine solutions asymptotically. The amplitude and phase of the scattering matrix can be stably and accurately calculated.",

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AB - A new reliable numerical method is proposed for solving the two-state coupled equations with two linear potentials which intersect with opposite sign of slopes. The original coupling equations which suffer from a very rapid oscillation are transformed into a new form which gives ordinary sine and cosine solutions asymptotically. The amplitude and phase of the scattering matrix can be stably and accurately calculated.

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