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

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

Access to Document

10.1016/0010-4655(93)90102-I

Link to publication in Scopus

Fingerprint Dive into the research topics of 'Numerical method for the two-state linear curve crossing: nonadiabatic tunneling case'. Together they form a unique fingerprint.

Cite this

Zhu, C., & Nakamura, H. (1993). Numerical method for the two-state linear curve crossing: nonadiabatic tunneling case. Computer Physics Communications, 74(1), 9-17. https://doi.org/10.1016/0010-4655(93)90102-I

@article{d580fb65247d4c87bc5c68000e4d5178,

title = "Numerical method for the two-state linear curve crossing: nonadiabatic tunneling case",

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.",

author = "Chaoyuan Zhu and Hiroki Nakamura",

year = "1993",

month = jan,

day = "1",

doi = "10.1016/0010-4655(93)90102-I",

language = "English",

volume = "74",

pages = "9--17",

journal = "Computer Physics Communications",

issn = "0010-4655",

publisher = "Elsevier",

number = "1",

}

TY - JOUR

T1 - Numerical method for the two-state linear curve crossing

T2 - nonadiabatic tunneling case

AU - Zhu, Chaoyuan

AU - Nakamura, Hiroki

PY - 1993/1/1

Y1 - 1993/1/1

N2 - 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.

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.

UR - http://www.scopus.com/inward/record.url?scp=0348162267&partnerID=8YFLogxK

U2 - 10.1016/0010-4655(93)90102-I

DO - 10.1016/0010-4655(93)90102-I

M3 - Article

AN - SCOPUS:0348162267

VL - 74

SP - 9

EP - 17

JO - Computer Physics Communications

JF - Computer Physics Communications

SN - 0010-4655

IS - 1

ER -